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Ethyl 2,2-dibromoacetate

Ethyl 2,2-dibromoacetate structure

CAS No:
617-33-4
Formula:
C4H6Br2O2
Chemical Name:
Ethyl 2,2-dibromoacetate
Synonyms:
Acetic acid,2,2-dibromo-,ethyl ester;Acetic acid,dibromo-,ethyl ester;Ethyl 2,2-dibromoacetate;Dibromoacetic acid ethyl ester;Ethyl dibromoacetate;NSC 8830;2,2-Dibromoacetic acid ethyl ester
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear colorless to slighlty brown liquid

Ethyl 2,2-dibromoacetate Basic Attributes

Molecular Weight：

245.9

Exact Mass：

245.90

EC Number：

210-510-7

UNII：

U57B34JKE5

NSC Number：

8830

DSSTox ID：

DTXSID7060673

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.66540

Density：

1.902

Boiling Point：

194 °C

Flash Point：

76-78°C/12mm

Refractive Index：

1.492-1.502

Water Solubility：

Soluble in hexane, ether, CH2Cl2, acetone, EtOAc, ethanol.

Safety Information

Transport codes：

3265

hazard class code：

36/37/38

safety instructions：

37/39-26

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 2,2-dibromoacetate Use and Manufacturing

Manufacturing Info：

Acetic acid, 2,2-dibromo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:245.90
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:245.87141
Monoisotopic Mass:243.87345
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:82.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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