CAS 175277-10-8 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride (HCID 2799340)

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Basic information

CAS: 175277-10-8
Standard SMILES: Cc1cc(C(=O)Cl)n(C(C)(C)C)n1
InChIKey: QHWPUBKIGZTZRC-UHFFFAOYSA-N
Molecular formula: C9H13ClN2O
Average molar mass: 200.66 g/mol
Monoisotopic mass: 200.0716407

Names & identifiers

Preferred name: 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride
IUPAC: 2-tert-butyl-5-methylpyrazole-3-carbonyl chloride
English name: 1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carbonyl chloride
Molecular formula: C9H13ClN2O
Molecular weight: 200.67

Names & synonyms

175277-10-81-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chlorideDTXSID90384063RefChem:235402DTXCID603350871-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE2-tert-butyl-5-methylpyrazole-3-carbonyl chlorideMFCD000849151-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYLCHLORIDESCHEMBL552850QHWPUBKIGZTZRC-UHFFFAOYSA-NSTR04739

Show more names

BUTTPARK 43\57-63N-tert-Butyl-3-methyl-5-pyrazolecarboxylic acid chloride1H-Pyrazole-5-carbonyl chloride, 1-(1,1-dimethylethyl)-3-methyl-1H-Pyrazole-5-carbonyl chloride, 1-(1,1-dimethylethyl)-3-methyl- (9CI)

SBB092688AKOS015908777DB-0304912-tert-butyl-5-methyl-pyrazole-3-carbonyl chloride1-(tert-butyl)-3-methylpyrazole-5-carbonyl chloride1-tert-butyl-3-methyl-1H-pyrazole-5-carbonylchloride2-tert-Butyl-5-methyl-2H-pyrazole-3-carbonyl chloride1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole-5-carbonyl chloride

Database identifiers

CAS: 175277-10-8

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 212

Physicochemical properties

Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
Hazard Note: Corrosive
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 Corr. 1B (100%)

Safety data

ridadr: 3265
hs_code: 2933199090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501