Basic information
- CAS
1092394-30-3- Standard SMILES
Cn1ncc(C(=O)O)c1C1CC1- InChIKey
ZVXUKCIXTVRSFO-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
Names & identifiers
- Preferred name
- 5-cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-cyclopropyl-1-methylpyrazole-4-carboxylic acid
- English name
- 5-Cyclopropyl-1-methyl-pyrazole-4-carboxylic acid
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
5-cyclopropyl-1-methyl-1H-pyrazole-4-carboxylic acid1092394-30-3RefChem:535175854-011-8MFCD111188075-cyclopropyl-1-methylpyrazole-4-carboxylic acid5-Cyclopropyl-1-methyl-pyrazole-4-carboxylic acid5-cyclopropyl-1-methyl-1H-pyrazole-4-carboxylicacidSCHEMBL3678140ZVXUKCIXTVRSFO-UHFFFAOYSA-NSTB39430SBB046400
Show more names
1H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-methyl-
STL414742AKOS005168968SY084467DB-155365CS-0252423ST45136323EN300-60233Z359317788
Database identifiers
- CAS
1092394-30-3- PubChem CID
- 29049288
- EC Number
- 854-011-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 323.4 · 323.4±30.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers7 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海众泽川医药科技有限公司25888888 15021253307 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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