5-Chlorobenzoxazole

HCID 28398

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Basic information

CAS: 17200-29-2
Standard SMILES: Clc1ccc2ocnc2c1
InChIKey: VWMQXAYLHOSRKA-UHFFFAOYSA-N
Molecular formula: C7H4ClNO
Average molar mass: 153.56 g/mol
Monoisotopic mass: 152.99814143

Names & identifiers

Preferred name: 5-Chlorobenzoxazole
IUPAC: 5-chloro-1,3-benzoxazole
English name: 5-CHLOROBENZOXAZOLE
Molecular formula: C7H4ClNO
Molecular weight: 153.57

Names & synonyms

5-Chlorobenzoxazole17200-29-2BENZOXAZOLE, 5-CHLORO-NSC 24984BRN 0971560DTXSID40169201RefChem:302650DTXCID5091692626-358-35-chloro-1,3-benzoxazole5-chlorobenzo[d]oxazoleMFCD00216939

Show more names

5-chloro-benzoxazol5-Chlorobenzoxazole,98%5-Chlorobenzoxazole,95%

Maybridge1_004177HMS553F21GEO-00657NSC-24984AKOS005203449FS-1779EN300-387816NSC24984

Database identifiers

CAS: 17200-29-2
PubChem CID: 28398
DTXSID: DTXSID40169201
UNII: 7MVD6UG5G2
EC Number: 626-358-3
Nikkaji: J41.889G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 131

Physicochemical properties

Melting point: 42 · 42-46 °C
Boiling point: 226.3 · 226.3±13.0℃ (760 torr)
Density: 1.377 · 1.377±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.5618 · 1.5618 (estimate)
Flash point: 90.7 · 90.7±19.8℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to lump
pka: -0.85 · -0.85±0.10(Predicted)
color: White to Orange to Green
InChI: 1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey: VWMQXAYLHOSRKA-UHFFFAOYSA-N
SMILES: Clc1ccc2ocnc2c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
RTECS: 4690000 · DM4690000
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.