Basic information
- CAS
609-40-5- Standard SMILES
O=[N+]([O-])c1cccs1- InChIKey
JIZRGGUCOQKGQD-UHFFFAOYSA-N- Molecular formula
- C4H3NO2S
- Average molar mass
- 129.14 g/mol
- Monoisotopic mass
- 128.98844934
Names & identifiers
- Preferred name
- Thiophene, 2-nitro-
- IUPAC
- 2-nitrothiophene
- English name
- 2-Nitrothiophene
- Molecular formula
- C4H3NO2S
- Molecular weight
- 129.14
Names & synonyms
2-NITROTHIOPHENE609-40-5Thiophene, 2-nitro-NSC 5371EINECS 210-190-9AI3-16618DTXSID9060570RefChem:897890DTXCID0042903210-190-92-nitro-thiopheneMFCD00005425
Show more names
SKL137AKOS 936242-nitro-thiophena-NitrothiopheneAKOS BBS-00004367Thiophene,2-nitro-2-Nitrothiophene85%
nitrothiophene2-Nitrothiofene2-Nitrothiophene, tech.NSC5371WLN: T5SJ BNWBIDD:GT0164SCHEMBL1360012-Nitro thiophene
Database identifiers
- CAS
609-40-5- PubChem CID
- 11866
- DTXSID
DTXSID9060570- UNII
- WW8M82QUP5
- EC Number
- 210-190-9
- Nikkaji
- J1.657H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 43 · 43-45 °C (lit.)
- Boiling point
- 224 · 224-225 °C (lit.)
- Density
- 1 · 1,364 g/cm3
- vapor pressure
- 15.199 Pa · 15.199Pa at 25℃
- refractive index
- 1.574 · 1.5740 (estimate)
- Flash point
- 201 °F · 201 °F
- storage temp.
- Keep Cold
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- solid
- color
- Monoclinic crystals
- Sensitive
- Light Sensitive
- InChI
- 1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
- InChIKey
- JIZRGGUCOQKGQD-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30188
Hazard Classes and CategoriesAcute Tox. 4 (37.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XN0030000
- hs_code
- 29349990
- Toxicity
- mmo-sat 2 mmol/L MUREAV 118,153,83
- risk_code
- 68-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- hazard_note
- Light Sensitive/Keep Cold
- safety_code
- 24/25-36-26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H341
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 2-nitro-: ACTIVE
Applications
Uses2-Nitrothiophene is a useful compound in the synthesis of thiophene containing compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
17 records
Compound notes
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