ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

HCID 616098

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Basic information

CAS: 6076-14-8
Standard SMILES: CCOC(=O)c1n[nH]c(C)c1Br
InChIKey: GNTNGOQWBKVXKE-UHFFFAOYSA-N
Molecular formula: C7H9BrN2O2
Average molar mass: 233.06 g/mol
Monoisotopic mass: 231.98473963

Names & identifiers

Preferred name: ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
IUPAC: ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
English name: Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
Molecular formula: C7H9BrN2O2
Molecular weight: 233.06

Names & synonyms

ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate6076-14-8DTXSID10346885RefChem:343870DTXCID40297957MFCD11054303Ethyl 4-bromo-3-methyl-1H-pyrazole-5-carboxylateEthyl 4-bromo-5-methylpyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, ethyl esterSCHEMBL3078972SCHEMBL152304904-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

Show more names

GAA07614BBL031765AKOS005256279AKOS015997222SY105335CS-0122289EN300-366238ethyl4-bromo-5-methyl-1H-pyrazole-3-carboxylate

Database identifiers

CAS: 6076-14-8
PubChem CID: 616098
DTXSID: DTXSID10346885
EC Number: 993-043-8
Nikkaji: J1.053.677D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 55 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 177

Physicochemical properties

Melting point: 103 · 103-104 °C
Boiling point: 343 · 343.0±37.0 °C(Predicted)
Density: 1.576 · 1.576±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 10.31 · 10.31±0.50(Predicted)
color: Off-white
Symbol(GHS): 5 · GHS05,GHS07,GHS08,GHS02
Signal word: Danger
Hazard statements: 302 · H302-H314-H371-H372-H351-H335-H225
Precautionary statements: 501 · P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933199090
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08,GHS02
Hazard statements: H302-H314-H371-H372-H351-H335-H225
Precautionary statements: P501-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405