Basic information
- CAS
15294-81-2- Standard SMILES
Brc1n[nH]nc1Br- InChIKey
GUQUYKTWVBJKFL-UHFFFAOYSA-N- Molecular formula
- C2HBr2N3
- Average molar mass
- 226.86 g/mol
- Monoisotopic mass
- 224.85372
Names & identifiers
- Preferred name
- 4,5-Dibromo-1H-1,2,3-triazole
- IUPAC
- 4,5-dibromo-2H-triazole
- English name
- 4,5-DIBROMO-1H-1,2,3-TRIAZOLE
- Molecular formula
- C2HBr2N3
- Molecular weight
- 226.86
Names & synonyms
4,5-Dibromo-1H-1,2,3-triazoleDTXSID60310096RefChem:96436DTXCID70261222835-538-2GUQUYKTWVBJKFL-UHFFFAOYSA-N15294-81-24,5-Dibromo-2H-1,2,3-triazole4,5-dibromo-2H-triazole1H-1,2,3-Triazole, 4,5-dibromo-dibromotriazoleMFCD08062401
Show more names
v-Triazole,4,5-dibroMo-4,5-Bromo-1,2,3-Triazole4,5-Dibrom-1H-1,2,3-triazolev-Triazole,4,5-dibroMo- (8CI)
4,5-dibromo-1H-triazole4,5-dibromo-1,2,3-triazoleNSC222414SCHEMBL1412440BB 0259477SCHEMBL11025201BCP21795AKOS005174467
Database identifiers
- CAS
15294-81-2- PubChem CID
- 312397
- DTXSID
DTXSID60310096- EC Number
- 835-538-2
- Nikkaji
- J2.796.550D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60
Experimental & physicochemical properties
LogP2.44
Physicochemical properties
- Melting point
- 194 °C · 194 °C (decomp)
- Boiling point
- 47 · 47,3 C
- Density
- 2.18 g/cm · 2.18 g/cm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 5.22 · 5.22±0.70(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
- InChIKey
- GUQUYKTWVBJKFL-UHFFFAOYSA-N
- SMILES
- N1C(Br)=C(Br)N=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,5-Dibromo-1H-1,2,3-triazole is an intermediate used in preparation of isoxazole derivative herbicides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
单县览铂生物科技有限公司15854067352 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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