4-Chloro-3-(5-methyl-1,3-benzoxazol-2-YL)aniline
Basic information
- CAS
190436-96-5- Standard SMILES
Cc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1- InChIKey
FIGIRGARTKWPOJ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0559907
Names & identifiers
- Preferred name
- 4-Chloro-3-(5-methyl-1,3-benzoxazol-2-YL)aniline
- IUPAC
- 4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
- English name
- 4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
- Molecular formula
- C14H11ClN2O
- Molecular weight
- 258.7
Names & synonyms
4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline190436-96-5RefChem:521222657-478-44-Chloro-3-(5-methylbenzo[d]oxazol-2-yl)anilineZINC122983MFCD004422454-chloro-3-(5-methylbenzoxazol-2-yl)phenylamine4-Chloro-3-(5-methylbenzo[d]oxazol-2-yl)benzenamineZINC00122983CBMicro_015278Cambridge id 5249971
Show more names
Benzenamine, 4-chloro-3-(5-methyl-2-benzoxazolyl)
4-Chloro-3-(5-methyl-benzooxazol-2-yl)-phenylamineSCHEMBL2491850FIGIRGARTKWPOJ-UHFFFAOYSA-NBBL002746STK051014Cc1ccc2c(c1)nc(o2)c1cc(N)ccc1ClAKOS000288993CCG-106239
Database identifiers
- CAS
190436-96-5- PubChem CID
- 721044
- EC Number
- 657-478-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 422.2 · 422.2±40.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H301-H335-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H413-H301-H335-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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