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2-NITROTHIOPHENE-4-CARBOXYLICACID

2-NITROTHIOPHENE-4-CARBOXYLICACID structure

CAS No:
40357-96-8
Formula:
C5H3NO4S
Chemical Name:
2-NITROTHIOPHENE-4-CARBOXYLICACID
Synonyms:
5-nitrothiophene-3-carboxylic acid;2-NITROTHIOPHENE-4-CARBOXYLIC ACID;5-Nitro-thiophene-3-carboxylic acid;3-Thiophenecarboxylic acid, 5-nitro-;5-nitro-3-thiophenecarboxylic acid;MFCD00052582;Maybridge1_003249;ACMC-1ASCR;2-nitro-4-carboxythiophene;KSC238C5F
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-white solid

2-NITROTHIOPHENE-4-CARBOXYLICACID Basic Attributes

Molecular Weight：

173.15

Exact Mass：

172.978271

DSSTox ID：

DTXSID90380444

HScode：

2934999090

Characteristics

PSA：

111.36000

XLogP3：

1.45

Density：

1.7±0.1 g/cm3

Melting Point：

147 °C

Boiling Point：

367.2±27.0 °C at 760 mmHg

Flash Point：

175.9±23.7 °C

Refractive Index：

1.660

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

22-24/25-37/39-26

Marks：

Hazard note：

Irritant

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, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:173.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:172.97827875
Monoisotopic Mass:172.97827875
Topological Polar Surface Area:111
Heavy Atom Count:11
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-NITROTHIOPHENE-4-CARBOXYLICACID

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2-NITROTHIOPHENE-4-CARBOXYLICACID

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