Basic information
- CAS
304854-52-2- Standard SMILES
Cc1cc(C#N)sc1Br- InChIKey
LRQOLFHQTKOVQZ-UHFFFAOYSA-N- Molecular formula
- C6H4BrNS
- Average molar mass
- 202.07 g/mol
- Monoisotopic mass
- 200.92478223
Names & identifiers
- Preferred name
- 5-Bromo-4-methylthiophene-2-carbonitrile
- IUPAC
- 5-bromo-4-methylthiophene-2-carbonitrile
- English name
- 5-bromo-4-methylthiophene-2-carbonitrile
- Molecular formula
- C6H4BrNS
- Molecular weight
- 202.07
Names & synonyms
5-Bromo-4-methylthiophene-2-carbonitrile304854-52-22-Thiophenecarbonitrile, 5-bromo-4-methyl-5-bromo-4-methyl-thiophene-2-carbonitrileMFCD17169862SCHEMBL2065243DTXSID10621205LRQOLFHQTKOVQZ-UHFFFAOYSA-NAKOS0160142425-bromo4-methylthiophene-2-carbonitrile5-bromo-4-methyl-2-thiophenecarbonitrile5-bromo-4-methyl-2-thiophene carbonitrile
Show more names
5-bromo-4-methyl-2-thiophene-carbonitrileDB-068296CS-0333220F19729EN300-3497755F730902Z12691985535-Bromo-4-methylthiophene-2-carbonitrile, 304854-52-2, PubChem22066, SureCN2065243, AKOS016014242, RL03072, AK129586, KB-42370
Database identifiers
- CAS
304854-52-2- PubChem CID
- 21986234
- DTXSID
DTXSID10621205- EC Number
- 160-893-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 252.7 · 252.7±35.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
安徽合诺生物科技有限公司18455579438
郑州药领医药科技有限公司13526569071 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
42 records
Compound notes
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