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Name	2,3-Difluorobenzyl bromide	EINECS	N/A
CAS No.	113211-94-2	Density	1.625 g/cm³
PSA	0.00000	LogP	2.85970
Solubility	N/A	Melting Point	N/A
Formula	C₇H₅BrF₂	Boiling Point	190.5 °C at 760 mmHg
Molecular Weight	207.018	Flash Point	69 °C
Transport Information	UN 3265 8/PG 2	Appearance	clear colorless to light yellow liquid
Safety	26-36/37/39-45-25-36/37	Risk Codes	34-36/37/38
Molecular Structure		Hazard Symbols	C,Xi
Synonyms	1-Bromomethyl-2,3-difluorobenzene;a-Bromo-2,3-difluorotoluene;	Article Data	2

2,3-Difluorobenzyl bromide Synthetic route

: 75853-18-8
(2,3-difluoro-phenyl)-methanol

: 113211-94-2
2,3-difluorobenzyl bromide

Conditions

Conditions	Yield
With phosphorus tribromide In toluene at 100℃; for 1h;	61%
With phosphorus tribromide In diethyl ether at -10℃; for 1.25h;	20 g

: 4519-39-5
2,3-difluorobenzoic acid

: 113211-94-2
2,3-difluorobenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 40 percent / B2H6 / tetrahydrofuran / 1.5 h 2: 61 percent / PBr3 / toluene / 1 h / 100 °C View Scheme

: 2646-91-5
2,3-difluorobenzaldehyde

: 113211-94-2
2,3-difluorobenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol; sodium tetrahydroborate / 1 h / 0 - 50 °C 2: phosphorus tribromide / diethyl ether / 1.25 h / -10 °C View Scheme

: C23H30BrNO5S

: 113211-94-2
2,3-difluorobenzyl bromide

: C30H34BrF2NO5S

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 18h;	96%

: 1074-82-4
potassium phtalimide

: 113211-94-2
2,3-difluorobenzyl bromide

: 923845-93-6
2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 2.5h;	92%

: 113211-94-2
2,3-difluorobenzyl bromide

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

: 266360-43-4
2-acetylamino-2-(2,3-difluoro-benzyl)-malonic acid diethyl ester

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Alkylation; Heating;	90%

: 113211-94-2
2,3-difluorobenzyl bromide

A: 1-(2,3-difluorobenzyl)-3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole

B: 1-(2,3-difluorobenzyl)-5-[4-methoxy-3-(3R)-tetrahydrofuranyloxy-phenyl]-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In DMF (N,N-dimethyl-formamide) at 20℃; for 16h;	A 90% B n/a

: 3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole

: 113211-94-2
2,3-difluorobenzyl bromide

A: 1-(2,3-difluorobenzyl)-3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole

B: 1-(2,3-difluorobenzyl)-5-[4-methoxy-3-(3R)-tetrahydrofuranyloxy-phenyl]-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; for 16h;	A 90% B n/a

: 784189-75-9
3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole

: 113211-94-2
2,3-difluorobenzyl bromide

A: 1-(2,3-difluorobenzyl)-3-(4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl)-1H-pyrazole

B: 1-(2,3-difluorobenzyl)-5-[4-methoxy-3-(3R)-tetrahydrofuranyloxy-phenyl]-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 3-[4-methoxy-3-(3R)-tetrahydrofuranyloxyphenyl]-1H-pyrazole With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: 2,3-difluorobenzyl bromide In N,N-dimethyl-formamide at 20℃; for 16h;	A 90% B n/a

: 79-46-9
2-nitropropane

: 113211-94-2
2,3-difluorobenzyl bromide

A: 1-(2,3-difluoro-phenyl)-2-methyl-2-nitro-propan-1-ol

B: 2646-91-5
2,3-difluorobenzaldehyde

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran Hass-Bender/Henry reaction;	A 89% B n/a

2,3-Difluorobenzyl bromide Chemical Properties

Product Name: 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2)

Molecular Formula: C₇H₅BrF₂
Molecular Weight: 207.02g/mol
Mol File: 113211-94-2.mol
Boiling point: 190.5 °C at 760 mmHg
Flash Point: 69 °C
Density: 1.625 g/cm³
Refractive index: n20/D 1.528(lit.)
Sensitive: Lachrymatory
Index of Refraction: 1.522
Molar Refractivity: 38.88 cm³
Molar Volume: 127.3 cm³
Surface Tension: 35.3 dyne/cm
Enthalpy of Vaporization: 40.93 kJ/mol
Vapour Pressure: 0.747 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2):
IUPAC Name: 1-(bromomethyl)-2,3-difluorobenzene
Canonical SMILES: C1=CC(=C(C(=C1)F)F)CBr
InChI: InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
Product Categories: Fluoro-contained benzyl bromide series; Aromatic compound; Miscellaneous; Benzenes

2,3-Difluorobenzyl bromide Safety Profile

Safety Information of 2,3-Difluorobenzyl bromide (CAS NO.113211-94-2):
Hazard Codes: C Corrosive ,Xi Irritant
Risk Statements: 34-36/37/38
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45-25-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25:Avoid contact with eyes.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 3265 8/PG
WGK Germany: 3
F: 10-19-21
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III

2,3-Difluorobenzyl bromide Specification

2,3-Difluorobenzyl bromide , its CAS NO. is 113211-94-2, the synonym is alpha-Bromo-2,3-difluorotoluene .

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