5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline
Basic information
- CAS
733030-65-4- Standard SMILES
Cn1cnnc1Sc1ccc(Cl)cc1N- InChIKey
ORIABKKRMMFJMW-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4S
- Average molar mass
- 240.71 g/mol
- Monoisotopic mass
- 240.0236452
Names & identifiers
- Preferred name
- 5-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)aniline
- IUPAC
- 5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
- English name
- 5-Chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]aniline
- Molecular formula
- C9H9ClN4S
- Molecular weight
- 240.71
Names & synonyms
5-chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline733030-65-45-chloro-2-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)anilineRefChem:534387997-234-75-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline5-chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]anilineHMS1760G13AKOS000123434CS-0220892EN300-07807G26361
Show more names
Benzenamine, 5-chloro-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-
SR-01000049276SR-01000049276-1Z56960190
Database identifiers
- CAS
733030-65-4- PubChem CID
- 2452109
- EC Number
- 997-234-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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