4-Bromo-1,3,5-trimethylpyrazole

HCID 519181
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
15801-69-1
Standard SMILES
Cc1nn(C)c(C)c1Br
InChIKey
UNTQXOJGXGRHMG-UHFFFAOYSA-N
Molecular formula
C6H9BrN2
Average molar mass
189.05 g/mol
Monoisotopic mass
187.99491039

Names & identifiers

Preferred name
4-Bromo-1,3,5-trimethylpyrazole
IUPAC
4-bromo-1,3,5-trimethylpyrazole
English name
4-Bromo-1,3,5-trimethyl-1H-pyrazole
Molecular formula
C6H9BrN2
Molecular weight
189.05

Names & synonyms

4-Bromo-1,3,5-trimethylpyrazoleRefChem:518829625-760-64-Bromo-1,3,5-trimethyl-1H-pyrazole15801-69-1MFCD000525321H-Pyrazole, 4-bromo-1,3,5-trimethyl-4-bromo-1,3,5-trimethyl-pyrazoleSCHEMBL30615SCHEMBL27993284SCHEMBL28608397DTXSID40333905
Show more names
BUTTPARK 34\09-421,3,5-trimethyl-4-bromoperazole4-Bromo-1,3,5-trimethylpyrazole 98%4-Bromo-1,3,5-trimethylpyrazole >1,3,5-Trimethyl-4-bromo-1H-pyrazole4-Bromo-1,3,5-trimethyl-1H-pyrazole ,98%4-BROMO-1,3,5-TRIMETHYLPYRAZOLE, PURISS, 98%
4-bromo- 1,3,5-trimethylpyrazoleALBB-0044504 -Bromo-1,3,5-trimethylpyrazoleSBB047367STK503175AKOS002657000pyrazole, 4-bromo-1,3,5-trimethyl-AB02192

Database identifiers

CAS
15801-69-1
PubChem CID
519181
DTXSID
DTXSID40333905
EC Number
625-760-6
Nikkaji
J266.785A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
30 · 30-34 °C (lit.)
Boiling point
101 · 101-102 °C/15 mmHg (lit.)
Density
1.5 · 1.50±0.1 g/cm3(Predicted)
Flash point
219 °F · 219 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Dichloromethane, Ethanol

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Danger

H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (95.2%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29331990
risk_code
22-36/37/38
Signal word
Danger

Chemistry & industry

Upstream & downstream products

Suppliers99 total

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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

Loading…