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Basic information
- CAS
113100-61-1- Standard SMILES
Cc1nn(C)cc1C(=O)Cl- InChIKey
LQXIVMYOLYCNMZ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.0246905
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1H-pyrazole-4-carbonyl chloride
- IUPAC
- 1,3-dimethylpyrazole-4-carbonyl chloride
- English name
- 1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl- (9CI)
- Molecular formula
- C6H7ClN2O
- Molecular weight
- 158.59
Names & synonyms
1,3-Dimethyl-1H-pyrazole-4-carbonyl chloride113100-61-11,3-dimethylpyrazole-4-carbonyl chlorideMFCD03421497DTXSID303902441H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl-1H-Pyrazole-4-carbonyl chloride, 1,3-dimethyl- (9CI)1,3-Dimethyl-1H-pyrazole-4-carbonylchlorideSCHEMBL976056LQXIVMYOLYCNMZ-UHFFFAOYSA-NALBB-009196BBL037776
Show more names
1,3-imethyl-1H-pyrazole-4-carbonyl chloride
SBB010408STK505735AKOS0051719761,3-dimethyl-4-pyrazolecarbonyl chlorideDA-15391FD119252SY332765VS-14449
Database identifiers
- CAS
113100-61-1- PubChem CID
- 3159698
- DTXSID
DTXSID30390244
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司
Related reactions
1 records
Compound notes
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