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4-Chlorobutanoic acid

4-Chlorobutanoic acid structure

CAS No:
627-00-9
Formula:
C4H7ClO2
Chemical Name:
4-Chlorobutanoic acid
Synonyms:
Butanoic acid,4-chloro-;Butyric acid,4-chloro-;4-Chlorobutanoic acid;4-Chlorobutyric acid;γ-Chlorobutyric acid;NSC 6391;NSC 76578;4-Chlorobutyrate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Dark brown liquid

4-Chlorobutanoic acid Basic Attributes

Molecular Weight：

122.55

Exact Mass：

122.55

EC Number：

210-977-7

NSC Number：

76578|6391

DSSTox ID：

DTXSID8060828

HScode：

29159000

Characteristics

PSA：

37.3

XLogP3：

0.6

Density：

1.2373 g/cm³ @ Temp: 20 °C

Melting Point：

16 °C

Boiling Point：

114 °C @ Press: 16 Torr

Flash Point：

101.1±22.6 °C

Refractive Index：

1.449

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3265

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S45

Marks：

C: Corrosive;

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

RIDADR：

UN 3265 8/PG 2

GHS Classification：

|Danger|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chlorobutanoic acid Use and Manufacturing

Manufacturing Info：

Butanoic acid, 4-chloro-: ACTIVE

Computed Properties

Molecular Weight:122.55
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:122.0134572
Monoisotopic Mass:122.0134572
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:62.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

188290-36-0

625-68-3

7782-50-5

625-68-3

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