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3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE

3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE structure

CAS No:
112440-49-0
Formula:
C9H11NS
Chemical Name:
3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE
Synonyms:
2-(2,4,5-TriMethylthiophen-3-yl)acetonitrile;3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE;3-(Cyanomethyl)-2,4,5-trimethylthophene;Cyanomethyltrimethylthophene;3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE 98+%;2,4,5-Trimethyl-3-(cyanomethyl)thiophene;2,4,5-Trimethylthiophene-3-acetonitrile;3-Thiopheneacetonitrile, 2,4,5-triMethyl-

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Description

White to light yellow solid

3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE Basic Attributes

Molecular Weight：

165.26

Exact Mass：

165.06100

DSSTox ID：

DTXSID20556256

HScode：

29349990

Characteristics

PSA：

XLogP3：

2.73938

Density：

1.073±0.06 g/cm3(Predicted)

Melting Point：

66°C

Boiling Point：

130°C0,7mm

Flash Point：

123.7ºC

Refractive Index：

1.543

Vapor Pressure：

0.00369mmHg at 25°C

Safety Information

Transport codes：

3439

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:165.26
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:165.06122053
Monoisotopic Mass:165.06122053
Topological Polar Surface Area:52
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Potassium hydroxide

Benzyltriethylammonium chloride

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Guide of 3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material

3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE

SDS

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