Basic information
- CAS
214416-39-4- Standard SMILES
Cc1[nH]nc(N)c1-c1ccc(Cl)cc1- InChIKey
PIYGPVNFVWLQAG-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3
- Average molar mass
- 207.66 g/mol
- Monoisotopic mass
- 207.056325
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
- IUPAC
- 4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-amine
- English name
- 4-(4-Chloro-phenyl)-5-methyl-2H-pyrazol-3-ylamine
- Molecular formula
- C10H10ClN3
- Molecular weight
- 207.66
Names & synonyms
214416-39-44-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amineDTXSID10341799RefChem:287952DTXCID702928794-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-amine4-(4-Chloro-phenyl)-5-methyl-2H-pyrazol-3-ylamineMFCD007372094-(4-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-imine4-(4-chlorophenyl)-3-methylpyrazole-5-ylamineCambridge id 5679811Oprea1_349134
Show more names
ASISCHEM C58484AKOS BBS-00005783TIMTEC-BB SBB011182Pyrazol-5-amine, 4-(4-chlorophenyl)-3-methyl-1H-Pyrazol-3-amine, 4-(4-chlorophenyl)-5-methyl-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]amine
MLS000719160SCHEMBL1248139CHEMBL1885200HMS2712J14HMS3535D16ALBB-007578BBL012526SBB011182
Database identifiers
- CAS
214416-39-4- PubChem CID
- 575802
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Solubility14 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- form
- solid
- InChI
- 1S/C10H10ClN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
- InChIKey
- PIYGPVNFVWLQAG-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)c2c([nH]nc2C)N
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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)
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
- wgk
- WGK 3
- risk_code
- 22
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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