Basic information
- CAS
1208081-34-8- Standard SMILES
COC(=O)c1cc(CCl)nn1C- InChIKey
FEFQFCXMOGAZIT-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0352552
Names & identifiers
- Preferred name
- methyl 3-(chloromethyl)-1-methyl-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 3-(chloromethyl)-1-methylpyrazole-5-carboxylate
- English name
- 5-Chloromethyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
- Molecular formula
- C7H9ClN2O2
- Molecular weight
- 188.61
Names & synonyms
1208081-34-8Methyl 3-(chloromethyl)-1-methyl-1H-pyrazole-5-carboxylateRefChem:814979963-094-05-Chloromethyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl esterMethyl 5-chloromethyl-2-methyl-2H-pyrazole-3-carboxylateMFCD11845756methyl 5-(chloromethyl)-2-methylpyrazole-3-carboxylate5-chloromethyl-2-methyl-2H-pyrazole-3-carboxylicacid methyl esterIYB08134SBB090858AKOS015852116
Show more names
1H-Pyrazole-5-carboxylic acid, 3-(chloromethyl)-1-methyl-, methyl ester
AS-5838AT23467EN300-7832843F075436methyl 3-(chloromethyl)-1-methylpyrazole-5-carboxylateMethyl 3-chloromethyl-1-methyl-1H-pyrazole-5-carboxylateMethyl3-(chloromethyl)-1-methyl-1H-pyrazole-5-carboxylate
Database identifiers
- CAS
1208081-34-8- PubChem CID
- 56832315
- EC Number
- 963-094-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- form
- solid
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers2 total
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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