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Ethyl 4-bromobutyrate(CAS No. 2969-81-5)

Ethyl 4-bromobutyrate C6H11BrO2 (cas 2969-81-5) Molecular Structure

2969-81-5 Structure

Identification and Related Records

【Name】
Ethyl 4-bromobutyrate
【Iupac name】
ethyl 4-bromobutanoate
【CAS Registry number】
2969-81-5
【Synonyms】
Butyricacid, 4-bromo-, ethyl ester (6CI,7CI,8CI)
1-Bromo-3-(carboethoxy)propane
3-(Ethoxycarbonyl)propylbromide
4-Bromobutanoic acid ethyl ester
4-Bromobutyric acid ethyl ester
Ethyl 4-bromobutanoate
Ethyl g-bromobutyrate
Butanoic acid, 4-bromo-, ethyl ester
g-Bromobutyric acid ethyl ester
【EINECS(EC#)】
221-005-6
【Molecular Formula】
C6H11BrO2 (Products with the same molecular formula)
【Molecular Weight】
195.05
【Inchi】
InChI=1/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
【InChIKey】
XBPOBCXHALHJFP-UHFFFAOYSA-N
【Canonical SMILES】
CCOC(=O)CCCBr
【MOL File】
2969-81-5.mol

Chemical and Physical Properties

【Appearance】
slightly yellow liquid
【Density】
1.363
【Boiling Point】
80-82℃ (10 mmHg)
【Vapour】
0.362mmHg at 25°C
【Refractive Index】
1.4549-1.4569
【Flash Point】
90℃
【Water】
immiscible
【Solubilities】
immiscible
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29159080
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:195.05434 [g/mol]
Molecular Formula:C6H11BrO2
XLogP3-AA:1.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:193.994242
MonoIsotopic Mass:193.994242
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Formal Charge:0
Complexity:83.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:107

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
6.1
【Safety】

Hazard Codes:?IrritantXi,?HarmfulXn
Risk Statements: 36/37/38-22?
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2929
WGK Germany of Ethyl 4-bromobutyrate (CAS NO.2969-81-5): 3

【PackingGroup 】
I; II
【Transport】
UN 2929
【Specification】

?Ethyl 4-bromobutyrate (CAS NO.2969-81-5), its Synonyms are Butanoic acid, 4-bromo-, ethyl ester (9CI) ; 4-Bromobutanoic acid, ethyl ester ; Ethyl gamma-bromobutyrate . It is clear colorless to yellow liquid.

Supplier Location

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Diamond member Hubei XinRunde Chemical Co., Ltd
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Telephone:86-571-85586718

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