3-Amino-5-tert-butylpyrazole

HCID 522787CAS 82560-12-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1cc(N)n[nH]1
InChIKey
ZHBXGHWSVIBUCQ-UHFFFAOYSA-N
Molecular formula
C7H13N3
Average molar mass
139.2 g/mol
Monoisotopic mass
139.11094742

Names & identifiers

Preferred name
3-Amino-5-tert-butylpyrazole
IUPAC
5-tert-butyl-1H-pyrazol-3-amine
English name
3-AMINO-5-TERT-BUTYLPYRAZOLE
Molecular formula
C7H13N3
Molecular weight
139.2

Names & synonyms

3-Amino-5-tert-butylpyrazole82560-12-1DTXSID60335062RefChem:92932DTXCID10286151ZHBXGHWSVIBUCQ-UHFFFAOYSA-N5-tert-Butyl-1H-pyrazol-3-amine3-(tert-butyl)-1h-pyrazol-5-amine5-amino-3-tert-butylpyrazole3-tert-butyl-1H-pyrazol-5-amine5-(tert-butyl)-1H-pyrazol-3-amine3-Amino-5-tert-butyl-1H-pyrazole
Show more names
BUTTPARK 30\09-75IFLAB-BB F2108-01295-AMINO-3-T-BUTYLPYRAZOLE3-Amino-5-tert-butylpyrazol3-AMino-5-Tert-Butylpyarzole3-tert-Butyl-5-aminopyrazole5-tert-Butylpyrazole-3-amine
1H-Pyrazol-3-amine, 5-(1,1-dimethylethyl)-5-amino-3-tert-butyl-1H-pyrazoleMFCD000826315-amino-3-(tert-butyl)-1h-pyrazole3-Amino-5-t-butylpyrazole1237537-54-0AKOS005638651CS-W019548

Database identifiers

CAS
82560-12-1
PubChem CID
522787
DTXSID
DTXSID60335062
EC Number
450-360-1、617-355-8
Nikkaji
J1.717.396K、J606.452C

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
60 °C · 60 °C
Boiling point
302.1 · 302.1±30.0 °C(Predicted)
Density
1.071 · 1.071±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystalline

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.

Warning

H302 (45.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 6 notifications to the ECHA C&L Inventory.

Danger

Hazard information

Regulatory Information · 2 items

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9035

Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26373

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Acute Tox. 4 (45.8%)

Safety data

wgk
3
hs_code
2933199090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn

Chemistry & industry

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

52 records
New reaction record

Linked notes

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