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2,3-Dibromo-1,4-butanediol

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Name

2,3-Dibromo-1,4-butanediol

EINECS 217-750-1
CAS No. 1947-58-6 Density 2.124 g/cm3
PSA 40.46000 LogP 0.49800
Solubility N/A Melting Point 88-90 °C
Formula C4H8Br2O2 Boiling Point 315.4 °C at 760 mmHg
Molecular Weight 247.914 Flash Point 156.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1947-58-6 (2,3-Dibromo-1,4-butanediol) Hazard Symbols IrritantXi
Synonyms

1,4-Butanediol,2,3-dibromo-, (R*,R*)- (9CI);2,3-Dibromo-2,3-dideoxy-dl-threitol;rac-2,3-Dibromobutane-1,4-diol;

Article Data 9

2,3-Dibromo-1,4-butanediol Synthetic route

6117-80-2

1,4-butenediol

1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide at 20℃; for 0.416667h;91%
With diethyl ether; bromine
With dichloromethane; bromine
With hydrogen bromide; bromine
With bromine In dichloromethane Irradiation;

(5S,6S)-5,6-Dibromo-2,2-dimethyl-[1,3]dioxepane

1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With sodium benzenesulfonate In N,N-dimethyl-formamide at 60℃; for 3h;90%
(+-)-5r,6t-dibromo-<1,3>dioxepane

(+-)-5r,6t-dibromo-<1,3>dioxepane

1947-58-6

dl-2,3-dibromo-1,4-butanediol

Conditions
ConditionsYield
With hydrogenchloride; methanol
6117-80-2

1,4-butenediol

7726-95-6

bromine

1947-58-6

dl-2,3-dibromo-1,4-butanediol

110-87-2

3,4-dihydro-2H-pyran

1947-58-6

dl-2,3-dibromo-1,4-butanediol

treo-2,3-dibromo-1,4-tetrahydropyranyloxybutane

Conditions
ConditionsYield
With hydrogen cation100%
1947-58-6

dl-2,3-dibromo-1,4-butanediol

930-69-8

sodium thiophenolate

101431-43-0

racem.-2,3-bis-phenylsulfanyl-butane-1,4-diol

1947-58-6

dl-2,3-dibromo-1,4-butanediol

89033-75-0

racem.-2,3-dibromo-1,4-bis-nitryloxy-butane

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -20℃;
1947-58-6

dl-2,3-dibromo-1,4-butanediol

1464-53-5

rac-1,2,3,4-diepoxybutane

Conditions
ConditionsYield
With potassium hydroxide
1947-58-6

dl-2,3-dibromo-1,4-butanediol

62-53-3

aniline

racem.-2,3-dianilino-butane-1,4-diol

108-30-5

succinic acid anhydride

1947-58-6

dl-2,3-dibromo-1,4-butanediol

107927-78-6, 124320-06-5

succinic acid 1,1'-((RS,RS)-2,3-dibromo-butane-1,4-diyl) ester

Conditions
ConditionsYield
With pyridine

2,3-Dibromo-1,4-butanediol Specification

The 2,3-Dibromo-1,4-butanediol is an organic compound with the formula C4H8Br2O2. The IUPAC name of this chemical is 2,3-dibromobutane-1,4-diol. With the CAS registry number 1947-58-6 and EINECS 217-750-1, it is also named as 1,4-Butanediol, 2,3-dibromo-, (+,-)-. The product's categories are Alcohols; Monomers; Polymer Science; Organic Building Blocks; Oxygen Compounds; Polyols. 

The other characteristics of 2,3-Dibromo-1,4-butanediol can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.25; (8)ACD/KOC (pH 7.4): 32.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 39.03 cm3; (14)Molar Volume: 116.6 cm3; (15)Polarizability: 15.47×10-24 cm3; (16)Surface Tension: 59.2 dyne/cm; (17)Enthalpy of Vaporization: 64.54 kJ/mol; (18)Vapour Pressure: 3.73E-05 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 247.887058; (21)MonoIsotopic Mass: 245.889105; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 8; (24)Complexity: 52.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:BrC(CO)C(Br)CO
2. InChI:InChI=1/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
3. InChIKey:OXYNQEOLHRWEPE-UHFFFAOYAP
4. Std. InChI:InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2
5. Std. InChIKey:OXYNQEOLHRWEPE-UHFFFAOYSA-N

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2460mg/kg (2460mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

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