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DIBENZ(b,f)(1,4)OXAZEPINE

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Name

DIBENZ(b,f)(1,4)OXAZEPINE

EINECS N/A
CAS No. 257-07-8 Density 1.16g/cm3
PSA 21.59000 LogP 2.97850
Solubility N/A Melting Point N/A
Formula C13H9 N O Boiling Point 329.3°Cat760mmHg
Molecular Weight 195.221 Flash Point 125°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and inhalation. Experimental teratogenic and reproductive effects. A human skin and eye irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 257-07-8 (Dibenz-(b,f)-1,4-oxazephine) Hazard Symbols N/A
Synonyms

CR; CR(lacrimator); NSC 293779

Article Data 26

DIBENZ(b,f)(1,4)OXAZEPINE Synthetic route

446-52-6

2-Fluorobenzaldehyde

95-55-6

2-amino-phenol

A

257-07-8

dibenz[b,f][1,4]oxazepine

B

212758-52-6

2-(2-fluorophenyl)benzo[d]oxazole

Conditions
ConditionsYield
With oxygen; 1,3-diethyl-1H-benzo[d]imidazol-3-ium bromide; sodium hydroxide In o-xylene; para-xylene; m-xylene at 120℃; for 10h; Molecular sieve; Green chemistry;A 25%
B 65%
446-52-6

2-Fluorobenzaldehyde

95-55-6

2-amino-phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With poly(ethylene glycol)-400; potassium carbonate at 100℃; for 8h; Product distribution; Further Variations:; Reagents; Solvents; Temperatures; time;89%
Stage #1: 2-amino-phenol In polyethylene glycol (300) at 50℃; for 0.5h;
Stage #2: 2-Fluorobenzaldehyde In polyethylene glycol (300) at 50℃; for 10h;
Stage #3: With potassium carbonate In polyethylene glycol (300) at 100℃; for 10h;
80%
With potassium carbonate at 100℃; Sealed tube;58%
6266-10-0

2-[(2-chlorobenzylidene)amino]phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
Stage #1: 2-[(2-chlorobenzylidene)amino]phenol With potassium hydroxide In methanol at 20℃; for 0.583333h;
Stage #2: In dimethyl sulfoxide at 120℃; for 2h; Further stages.;
75%
Stage #1: 2-[(2-chlorobenzylidene)amino]phenol With potassium hydroxide In methanol at 20℃; for 1h;
Stage #2: In dimethyl sulfoxide at 150℃; for 6h;
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
2: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
View Scheme
89-98-5

2-chloro-benzaldehyde

95-55-6

2-amino-phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With potassium hydroxide In N,N-dimethyl-formamide at 120℃; for 0.1h; Temperature; Reagent/catalyst; Microwave irradiation;87%
Stage #1: 2-chloro-benzaldehyde; 2-amino-phenol In 5,5-dimethyl-1,3-cyclohexadiene for 2h; Reflux;
Stage #2: In 5,5-dimethyl-1,3-cyclohexadiene at 120℃; for 24h;
Stage #3: With sodium In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux;
75%
536-74-3

phenylacetylene

95-55-6

2-amino-phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With tetrabutylammonium acetate; palladium diacetate; 1,2-diamino-benzene In N,N-dimethyl-formamide at 120℃; Microwave irradiation;82%
2770-12-9

N-(2-phenoxyphenyl)formamide

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With polyphosphiric acid; trichlorophosphate at 120 - 130℃; for 2h; Cyclization;75%

2-formamido-4'-tert-butyldiphenyl ester

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With polyphosphiric acid; trichlorophosphate at 120 - 130℃; for 2h; Cyclization;56%
100-52-7

benzaldehyde

95-55-6

2-amino-phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
With potassium carbonate at 100℃; for 5h;68%
95-55-6

2-amino-phenol

257-07-8

dibenz[b,f][1,4]oxazepine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
2: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
3: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
View Scheme
Multi-step reaction with 3 steps
1: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
2: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
3: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
View Scheme
Multi-step reaction with 3 steps
1: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
2: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
3: N,N-dimethyl-formamide / 140 °C / Microwave irradiation
View Scheme

2-formamido-4'-tert-butyldiphenyl ester

A

257-07-8

dibenz[b,f][1,4]oxazepine

B

2-tert-butyl-dibenzo[b,f][1,4]oxazepine

Conditions
ConditionsYield
With polyphosphiric acid; trichlorophosphate at 120 - 130℃; for 2h; Cyclization;A 23%
B 31%

DIBENZ(b,f)(1,4)OXAZEPINE Chemical Properties

Product Name: Dibenz(b,f)(1,4)oxazepine (CAS NO.257-07-8)


Molecular Formula: C13H9NO
Molecular Weight: 195.21666g/mol
Mol File: 257-07-8.mol
Boiling point: 329.3 °C at 760 mmHg
Flash Point: 125 °C
Density: 1.16 g/cm3
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 54.91 kJ/mol
Vapour Pressure: 0.000342 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 2

DIBENZ(b,f)(1,4)OXAZEPINE Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 1500mg/m3/2H (1500mg/m3)   Toxicology. Vol. 8, Pg. 347, 1977.
guinea pig LD50 intraperitoneal 463mg/kg (463mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toxicology. Vol. 8, Pg. 347, 1977.
guinea pig LD50 oral 629mg/kg (629mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA
Toxicology. Vol. 8, Pg. 347, 1977.
hamster LCLo inhalation 1850mg/m3/3H (1850mg/m3)   Toxicology. Vol. 8, Pg. 347, 1977.
mouse LCLo inhalation 1500mg/m3/2H (1500mg/m3)   Toxicology. Vol. 8, Pg. 347, 1977.
mouse LD50 intraperitoneal 242mg/kg (242mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
mouse LD50 intravenous 37200ug/kg (37.2mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
mouse LD50 oral 770mg/kg (770mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rabbit LCLo inhalation 1500mg/m3/2H (1500mg/m3)   Toxicology. Vol. 8, Pg. 347, 1977.
rabbit LD50 intravenous 26mg/kg (26mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rabbit LD50 oral 1760mg/kg (1760mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA
Toxicology. Vol. 8, Pg. 347, 1977.
rabbit LD50 skin > 400mg/kg (400mg/kg)   Toxicology. Vol. 8, Pg. 347, 1977.
rat LD50 intraperitoneal 164mg/kg (164mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rat LD50 intravenous 26mg/kg (26mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,
rat LD50 oral 563mg/kg (563mg/kg)   Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974,

DIBENZ(b,f)(1,4)OXAZEPINE Consensus Reports

Reported in EPA TSCA Inventory.

DIBENZ(b,f)(1,4)OXAZEPINE Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and inhalation. Experimental teratogenic and reproductive effects. A human skin and eye irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

DIBENZ(b,f)(1,4)OXAZEPINE Specification

 Dibenz(b,f)(1,4)oxazepine ,its CAS NO. is 257-07-8,the synonyms is Dibenz(b,f)(1,4)oxazepine ; Dibenzo(b,f)-1,4oxazepine ; Dibenz-1,4-oxazepine ; Ea-3547 .

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