Basic information
- CAS
35698-31-8- Standard SMILES
Cc1cc2noc(-c3ccccc3)c2cc1Cl- InChIKey
PLGFJTQMYDSPOS-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0450916
Names & identifiers
- Preferred name
- 5-Chloro-6-methyl-3-phenyl-2,1-benzisoxazole
- IUPAC
- 5-chloro-6-methyl-3-phenyl-2,1-benzoxazole
- English name
- 5-chloro-6-methyl-3-phenyl-2,1-benzoxazole
- Molecular formula
- C14H10ClNO
- Molecular weight
- 243.6883
Names & synonyms
35698-31-85-chloro-6-methyl-3-phenyl-2,1-benzisoxazoleRefChem:534855665-000-05-Chloro-6-methyl-3-phenylbenzo[c]isoxazoleSCHEMBL11863425PLGFJTQMYDSPOS-UHFFFAOYSA-NAKOS0243241325-chloro-6-methyl-3-phenyl-2,1-benzoxazole
Database identifiers
- CAS
35698-31-8- PubChem CID
- 4642802
- EC Number
- 665-000-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P273, 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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Related reactions
2 records
Compound notes
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