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4-methyl-1,3-thiazole-2-carbonitrile

4-methyl-1,3-thiazole-2-carbonitrile structure

CAS No:
100516-98-1
Formula:
C5H4N2S
Chemical Name:
4-methyl-1,3-thiazole-2-carbonitrile
Synonyms:
4-methyl-2-thiazollecarbonitrile; 4-METHYL-2-THIAZOLECARBONITRILE; 4-Methyl-thiazol-2-carbonitril; 4-methyl-thiazole-2-carbonitrile; 2-Thiazolecarbonitrile,4-methyl;

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4-methyl-1,3-thiazole-2-carbonitrile Basic Attributes

Molecular Weight：

124.16400

Exact Mass：

124.00951931

DSSTox ID：

DTXSID10584785

HScode：

2934100090

Characteristics

PSA：

64.92000

XLogP3：

1.32318

Density：

1.25g/cm3

Melting Point：

34-39ºC

Boiling Point：

222.3ºC at 760 mmHg

Flash Point：

207 °F

Refractive Index：

1.558

Vapor Pressure：

0.102mmHg at 25°C

Safety Information

hazard class code：

R22

safety instructions：

S26

Marks：

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H302; H315; H318; H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+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:124.17
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Exact Mass:124.00951931
Monoisotopic Mass:124.00951931
Topological Polar Surface Area:64.9
Heavy Atom Count:8
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-methyl-1,3-thiazole-2-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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