5,6-dichloro-1H-1,2,3-benzotriazole
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Basic information
- CAS
34374-67-9- Standard SMILES
Clc1cc2n[nH]nc2cc1Cl- InChIKey
HHEBHJLYNLALHM-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2N3
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9704025
Names & identifiers
- Preferred name
- 5,6-dichloro-1H-1,2,3-benzotriazole
- IUPAC
- 5,6-dichloro-2H-benzotriazole
- English name
- 5,6-Dichlorobenzotriazole
- Molecular formula
- C6H3Cl2N3
- Molecular weight
- 188.01
Names & synonyms
5,6-dichloro-1H-1,2,3-benzotriazoleRefChem:527984835-912-534374-67-95,6-dichloro-2H-benzotriazole5,6-DICHLOROBENZOTRIAZOLE5,6-dichloro-1H-benzo[d][1,2,3]triazole5,6-dichloro-1h-benzotriazoleNSC90977Kinome_3853NCIOpen2_001568SCHEMBL205009
Show more names
1H-Benzotriazole, 5,6-dichloro-
CHEMBL1996923SCHEMBL10469487SCHEMBL104694895,6-dichloro-2-azabenzimidazoleDTXSID40329106HHEBHJLYNLALHM-UHFFFAOYSA-NJBA37467MFCD19243371
Database identifiers
- CAS
34374-67-9- PubChem CID
- 417428
- DTXSID
DTXSID40329106- ChEMBL
CHEMBL1996923- EC Number
- 835-912-5
- Nikkaji
- J638.476E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 264 °C · 264 °C
- Boiling point
- 425.7 · 425.7±25.0 °C(Predicted)
- Density
- 1.675 · 1.675±0.06 g/cm3(Predicted)
- pka
- 6.56 · 6.56±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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