4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 670823CAS 84547-83-1

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Basic information

Standard SMILES
Cn1ncc(Cl)c1C(=O)O
InChIKey
SOCMTMNWGCJGLA-UHFFFAOYSA-N
Molecular formula
C5H5ClN2O2
Average molar mass
160.56 g/mol
Monoisotopic mass
160.00395508

Names & identifiers

Preferred name
4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-Chloro-1-methyl-1H-pyrazole-5-carboxylic acid
English name
4-Chloro-2-methyl-2H-pyrazole-3-carboxylic acid
Molecular formula
C5H5ClN2O2
Molecular weight
160.56

Names & synonyms

AKOS B000148ART-CHEM-BB B000148TIMTEC-BB SBB000131SALOR-INT L119539-1EA4-chloro-2-methyl-3-pyrazolecarboxylic acid4-chloro-2-methylpyrazole-3-carboxylic acid4-chloro-2-methyl-pyrazole-3-carboxylic acid4-Chloro-2-methyl-2H-pyrazol-3-carboxylic acid4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid4-Chloro-2-methyl-2H-pyrazole-3-carboxylic acid

Database identifiers

CAS
84547-83-1
PubChem CID
670823
DTXSID
DTXSID80350015
EC Number
673-165-5

Properties

Physicochemical properties

Melting point
218 · 218-219 °C(Solv: acetic acid (64-19-7))
Boiling point
327 · 327.0±22.0 °C(Predicted)
Density
1.56 · 1.56±0.1 g/cm3(Predicted)
pka
1.82 · 1.82±0.37(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2933199090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H319-H335-H302+H312+H332-H315

Chemistry & industry

Suppliers16 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]

Related reactions

13 records
New reaction record

Linked notes

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