Basic information
- CAS
1017781-20-2- Standard SMILES
CC(C)(C)c1cc(N)n(-c2cc(Cl)ccc2Cl)n1- InChIKey
KKZYUJMFCXQJQP-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2N3
- Average molar mass
- 284.18 g/mol
- Monoisotopic mass
- 283.0643029
Names & identifiers
- Preferred name
- 5-Tert-butyl-2-(2,5-dichloro-phenyl)-2H-pyrazol-3-ylamine
- IUPAC
- 3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-amine
- English name
- 5-tert-Butyl-2-(2,5-dichloro-phenyl)-2H-pyrazol-3-ylamine
- Molecular formula
- C13H15Cl2N3
- Molecular weight
- 284.18
Names & synonyms
1017781-20-25-TERT-BUTYL-2-(2,5-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE3-(tert-Butyl)-1-(2,5-dichlorophenyl)-1H-pyrazol-5-amine5-tert-butyl-2-(2,5-dichlorophenyl)pyrazol-3-amineMFCD041150895-Tert-butyl-2-(2,5-dichlorophenyl)-2h-pyrazol-3-ylamine3-TERT-BUTYL-1-(2,5-DICHLOROPHENYL)-1H-PYRAZOL-5-AMINE1H-Pyrazol-5-amine, 1-(2,5-dichlorophenyl)-3-(1,1-dimethylethyl)-5-TERT-BUTYL-2-(2,5-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE, 1017781-20-2, AB19586, 3-TERT-BUTYL-1-(2,5-DICHLOROPHENYL)-1H-PYRAZOL-5-AMINEDTXSID30696218AKOS024260897AB19586
Show more names
JR-13896, 5-Tert-butyl-2-(2,5-dichlorophenyl)-2h-pyrazol-3-ylamine, 97%
BS-19121DB-058674CS-0341858F799735-t-Butyl-2-(2,5-dichlorophenyl)-2H-pyrazol-3-ylamine5-tert-Butyl-2-(2,5-dichlorophenyl)-2h-pyrazol-3-ylamine, AldrichCPR
Database identifiers
- CAS
1017781-20-2- PubChem CID
- 53408331
- DTXSID
DTXSID30696218
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H15Cl2N3/c1-13(2,3)11-7-12(16)18(17-11)10-6-8(14)4-5-9(10)15/h4-7H,16H2,1-3H3
- InChIKey
- KKZYUJMFCXQJQP-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1cc(N)n(n1)-c2cc(Cl)ccc2Cl
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Suppliers14 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
上海智乾生物科技有限公司[email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…