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2-Nitrothiophene

2-Nitrothiophene structure

CAS No:
609-40-5
Formula:
C4H3NO2S
Chemical Name:
2-Nitrothiophene
Synonyms:
Thiophene,2-nitro-;2-Nitrothiophene;α-Nitrothiophene;NSC 5371
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to light yellow crystal powder

2-Nitrothiophene Basic Attributes

Molecular Weight：

129.14

Exact Mass：

129.14

EC Number：

210-190-9

NSC Number：

5371

DSSTox ID：

DTXSID9060570

HScode：

29349990

Characteristics

PSA：

74.1

XLogP3：

1.65

Appearance：

yellowish solid

Density：

1,364 g/cm3

Melting Point：

46.5 °C

Boiling Point：

224.5 °C

Flash Point：

201 °F

Refractive Index：

1.603

Storage Conditions：

Keep Cold

Toxicity：

mmo-sat 2 mmol/L MUREAV 118,153,83

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

68-36/37/38-20/21/22

safety instructions：

24/25-36-26-36/37

RTECS Number：

XN0030000

Marks：

Hazard note：

Light Sensitive/Keep Cold

Stability/Shelf Life：

Stable under normal temperatures and pressures. May discolor on exposure to light.

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Nitrothiophene Use and Manufacturing

Uses

Used in organic synthesis.

Manufacturing Info：

Thiophene, 2-nitro-: ACTIVE

Computed Properties

Molecular Weight:129.14
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Exact Mass:128.98844951
Monoisotopic Mass:128.98844951
Topological Polar Surface Area:74.1
Heavy Atom Count:8
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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