5-Chloro-2-methylbenzoxazole

HCID 29510

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Basic information

CAS: 19219-99-9
Standard SMILES: Cc1nc2cc(Cl)ccc2o1
InChIKey: HJCIGAUHTJBHBQ-UHFFFAOYSA-N
Molecular formula: C8H6ClNO
Average molar mass: 167.59 g/mol
Monoisotopic mass: 167.01379149

Names & identifiers

Preferred name: 5-Chloro-2-methylbenzoxazole
IUPAC: 5-chloro-2-methyl-1,3-benzoxazole
English name: 5-Chloro-2-methylbenzoxazole
Molecular formula: C8H6ClNO
Molecular weight: 167.59

Names & synonyms

19219-99-95-Chloro-2-methylbenzoxazoleBENZOXAZOLE, 5-CHLORO-2-METHYL-NSC-26192V7UKW326CZDTXSID8051831RefChem:102324DTXCID9030387242-888-45-Chloro-2-methylbenzo[d]oxazole2-Methyl-5-chlorobenzoxazole5-Chloro-2-methyl-1,3-benzoxazole

Show more names

2-Methyl-5-chloroChloro-2-methylbenzoxazole2-methyl-5-chlor bezoxazole2-METHY-5-CHLOROBENZOXAZOLE5 CHLORO 2-METHYL BENZOXAZOL2-METHYL-5-CHLORO BENZOXAZOLE5-Chloro-2-methylbenzooxazole7-Chloro-2-Mercato Benzoxazole

MFCD00022850F9995-0073EINECS 242-888-4NSC 26192BRN 0120800NSC261925-chloro2-methylbenzoxazole2-27-00-00020 (Beilstein Handbook Reference)

Database identifiers

CAS: 19219-99-9
PubChem CID: 29510
DTXSID: DTXSID8051831
UNII: V7UKW326CZ
EC Number: 242-888-4
Nikkaji: J36.853I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 55 · 55-57 °C(lit.)
Boiling point: 218 · 218-220 °C(lit.)
Density: 1.2295 · 1.2295 (rough estimate)
refractive index: 1.543 · 1.5430 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
pka: -0.45 · -0.45±0.10(Predicted)
form: powder to crystal
color: White to Gray to Brown
InChI: InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey: XVQGFGKAPKEUFT-UHFFFAOYSA-N
SMILES: O1C2=CC=C(Cl)C=C2N=C1C
CAS DataBase Reference: 19219 · 19219-99-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 5 · Benzoxazole, 5-chloro-2-methyl- (19219-99-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: C,Xi
Risk Statements: 20 · 20/21/22-34-36/37/38-37/38-36
Safety Statements: 26 · 26-27-36/37/39-45-36/39
RIDADR: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
RTECS: 4790000 · DM4790000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information5-Chloro-2-methylbenzoxazole: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: DM4790000
ridadr: UN 1759 8/PG 2
hs_code: 29349990
risk_code: 20/21/22-34-36/37/38-37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45-36/39
hazard_class: 8
packing_group: III
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313