Basic information
- CAS
175135-59-8- Standard SMILES
Cc1cccc(-n2ncc(C#N)c2N)c1- InChIKey
VLJAYJZISRDURH-UHFFFAOYSA-N- Molecular formula
- C11H10N4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.09054634
Names & identifiers
- Preferred name
- 5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(3-methylphenyl)pyrazole-4-carbonitrile
- English name
- 5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
- Molecular formula
- C11H10N4
- Molecular weight
- 198.22
Names & synonyms
175135-59-85-amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrileDTXSID50349774RefChem:101899DTXCID90300844850-383-05-amino-1-(3-methylphenyl)pyrazole-4-carbonitrile5-amino-1-(m-tolyl)-1H-pyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-methylphenyl)-MFCD00052969MLS0000800075-amino-1-(m-tolyl)pyrazole-4-carbonitrile
Show more names
ZINC00093138STOCK2S-895035-amino-1-(3-methylphenyl)-4-pyrazolecarbonitrile
SMR000038113F2135-0892cid_660367SCHEMBL6205563CHEMBL1327047BDBM55229HMS2303B14SMSSF-0017338
Database identifiers
- CAS
175135-59-8- PubChem CID
- 660367
- DTXSID
DTXSID50349774- ChEMBL
CHEMBL1327047- EC Number
- 850-383-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 419.3 · 419.3±40.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -0.59 · -0.59±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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