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4-CHLOROBUTYLBENZOATE

4-CHLOROBUTYLBENZOATE structure

CAS No:
946-02-1
Formula:
C11H13ClO2
Chemical Name:
4-CHLOROBUTYLBENZOATE
Synonyms:
TIMTEC-BB SBB006654;4-CHLOROBUTYL BENZOATE;4-Chlorobutyl benzoate,97%;1-Butanol, 4-chloro-, 1-benzoate;BENZOIC ACID 4-CHLORO-N-BUTYL ESTER
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

4-CHLOROBUTYLBENZOATE Basic Attributes

Molecular Weight：

212.67300

Exact Mass：

212.06000

NSC Number：

118972

DSSTox ID：

DTXSID30241545

HScode：

2916310090

Characteristics

PSA：

26.30000

XLogP3：

2.86240

Density：

1.129g/cm3

Boiling Point：

304.4ºC at 760mmHg

Flash Point：

148.4ºC

Refractive Index：

n20/D 1.519(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:212.67
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:212.0604073
Monoisotopic Mass:212.0604073
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Chlorobutyl Benzoate

CAS No.: 946-02-1

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