CAS No.1947-58-6,2,3-Dibromo-1,4-butanediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1947-58-6
Name:	2,3-Dibromo-1,4-butanediol
Article Data:	9

Formula:	C₄H₈Br₂O₂
Molecular Weight:	247.914
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;
EINECS:	217-750-1
Density:	2.124 g/cm³
Melting Point:	88-90 °C
Boiling Point:	315.4 °C at 760 mmHg
Flash Point:	156.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	40.46000
LogP:	0.49800

Synthetic route

: 6117-80-2
1,4-butenediol

: 1947-58-6
dl-2,3-dibromo-1,4-butanediol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With hydrogen cation	100%

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With pyridine

Raw Materials

6117-80-2

7726-95-6

Downstream Products

821-11-4

6117-80-2

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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.