Basic information
- CAS
111340-37-5- Standard SMILES
CC(C)n1ncnc1Br- InChIKey
HEYZCRUOGYRTFE-UHFFFAOYSA-N- Molecular formula
- C5H8BrN3
- Average molar mass
- 190.04 g/mol
- Monoisotopic mass
- 188.99016
Names & identifiers
- Preferred name
- 5-bromo-1-(propan-2-yl)-1H-1,2,4-triazole
- IUPAC
- 5-bromo-1-propan-2-yl-1,2,4-triazole
- English name
- 5-Bromo-1-isopropyl-1H-1,2,4-triazole
- Molecular formula
- C5H8BrN3
- Molecular weight
- 190.04
Names & synonyms
111340-37-55-bromo-1-(propan-2-yl)-1H-1,2,4-triazoleRefChem:532761840-222-25-Bromo-1-isopropyl-1H-1,2,4-triazole1H-1,2,4-Triazole, 5-bromo-1-(1-methylethyl)-MFCD199827105-bromo-1-propan-2-yl-1,2,4-triazole5-BROMO-1-ISOPROPYL-1,2,4-TRIAZOLEALBB-018262AKOS015960004AT11958
Show more names
5-Bromo-1-(1-methylethyl)-1H-1,2,4-triazole
BS-38798CS-0208876EN300-233133F3120455-Bromo-1-isopropyl-1H-1,2,4-triazole, AldrichCPR
Database identifiers
- CAS
111340-37-5- PubChem CID
- 13624271
- EC Number
- 840-222-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.2
Physicochemical properties
- form
- solid
- InChI
- 1S/C5H8BrN3/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3
- InChIKey
- HEYZCRUOGYRTFE-UHFFFAOYSA-N
- SMILES
- CC(C)n1ncnc1Br
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [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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