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4-Chloro-1-(2-thienyl)-1-butanone

4-Chloro-1-(2-thienyl)-1-butanone structure

CAS No:
43076-59-1
Formula:
C8H9ClOS
Chemical Name:
4-Chloro-1-(2-thienyl)-1-butanone
Synonyms:
1-Butanone,4-chloro-1-(2-thienyl)-;4-Chloro-1-(2-thienyl)-1-butanone;3-Chloropropyl 2-thienyl ketone;2-(4-Chlorobutyryl)thiophene;4-Chloro-1-(2-thienyl)butanone;4-Chloro-1-(thiophen-2-yl)butan-1-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear gold to dark coloured liquid

4-Chloro-1-(2-thienyl)-1-butanone Basic Attributes

Molecular Weight：

188.67

Exact Mass：

188.67

BRN：

508882

EC Number：

256-076-2

DSSTox ID：

DTXSID10195678

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

2.94980

Appearance：

clear gold to dark coloured liquid

Density：

1.663 g/mL at 25 °C(lit.)

Boiling Point：

144-146 °C @ Press: 11 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.565(lit.)

Storage Conditions：

0-6°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:188.67
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:188.0062638
Monoisotopic Mass:188.0062638
Topological Polar Surface Area:45.3
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloro-1-(2-thienyl)-1-butanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Chloro-1-(2-thienyl)-1-butanone

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