Basic information
- CAS
876316-47-1- Standard SMILES
Cn1nc(C(=O)Cl)cc1-c1ccco1- InChIKey
RAYIOTXFHIKMIE-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O2
- Average molar mass
- 210.62 g/mol
- Monoisotopic mass
- 210.01960514
Names & identifiers
- Preferred name
- 5-(2-Furyl)-1-methyl-1H-pyrazole-3-carbonyl chloride
- IUPAC
- 5-(furan-2-yl)-1-methylpyrazole-3-carbonyl chloride
- English name
- 5-(2-Furyl)-1-methyl-1H-pyrazole-3-carbonyl chloride
- Molecular formula
- C9H7ClN2O2
- Molecular weight
- 210.62
Names & synonyms
876316-47-15-(2-Furyl)-1-methyl-1H-pyrazole-3-carbonyl chloride5-(furan-2-yl)-1-methylpyrazole-3-carbonyl chloride1H-Pyrazole-3-carbonylchloride, 5-(2-furanyl)-1-methyl-5-(furan-2-yl)-1-methyl-1H-pyrazole-3-carbonyl chlorideSCHEMBL892788DTXSID00594555RAYIOTXFHIKMIE-UHFFFAOYSA-NSBB094400MS-22335DB-0770485-(2-furyl)-1-methylpyrazole-3-carbonyl chloride
Show more names
1H-Pyrazole-3-carbonyl chloride, 5-(2-furanyl)-1-methyl-5-(2-Furyl)-1-methyl-1H-pyrazole-3-carbonyl chloride 97%
Database identifiers
- CAS
876316-47-1- PubChem CID
- 18525800
- DTXSID
DTXSID00594555
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 59 · 59-61°C
- Risk Statements
- 14 · 14-29-34
- Safety Statements
- 8 · 8-22-30-36/37/39-45
- RIDADR
- 3261 · 3261
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety data
- ridadr
- 3261
- hs_code
- 2933199090
- risk_code
- 14-29-34
- safety_code
- 8-22-30-36/37/39-45
Chemistry & industry
Suppliers7 total
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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