Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
Basic information
- CAS
5300-92-5- Standard SMILES
Clc1ccc(-c2cc(CBr)on2)cc1- InChIKey
YGCXXYLQISERCR-UHFFFAOYSA-N- Molecular formula
- C10H7BrClNO
- Average molar mass
- 272.52 g/mol
- Monoisotopic mass
- 270.93995362
Names & identifiers
- Preferred name
- Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
- IUPAC
- 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole
- English name
- 5-(Bromomethyl)-3-(4-chlorophenyl)isoxazole
- Molecular formula
- C10H7BrClNO
- Molecular weight
- 272.53
Names & synonyms
5300-92-5BRN 12127275-Bromomethyl-3-(p-chlorophenyl)isoxazoleISOXAZOLE, 5-BROMOMETHYL-3-(p-CHLOROPHENYL)-DTXSID20201052RefChem:350251DTXCID201235435-(bromomethyl)-3-(4-chlorophenyl)isoxazole5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazoleMFCD06738491SCHEMBL3688842YGCXXYLQISERCR-UHFFFAOYSA-N
Show more names
5-bromomethyl-3-(p-chlorophenyl)-isoxazolIsoxazole, 5-(bromomethyl)-3-(4-chlorophenyl)-
FAA30092AKOS009096509AB272255-bromomethyl-3-(4-chlorophenyl)isoxazoleDB-0716205-Bromomethyl-3-(4-chlorophenyl)-isoxazoleEN300-245315-(bromomethyl)-3-(4-chlorophenyl)-isoxazole
Database identifiers
- CAS
5300-92-5- PubChem CID
- 21369
- DTXSID
DTXSID20201052- EC Number
- 883-614-9
- Nikkaji
- J41.510C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- form
- solid
- InChI
- 1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2
- InChIKey
- YGCXXYLQISERCR-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)-c2cc(CBr)on2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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