CAS 208465-72-9 Methyl 2-(chloromethyl)oxazole-4-carboxylate (HCID 2763199)

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Basic information

CAS: 208465-72-9
Standard SMILES: COC(=O)c1coc(CCl)n1
InChIKey: CMUKPCIZFMTLKD-UHFFFAOYSA-N
Molecular formula: C6H6ClNO3
Average molar mass: 175.57 g/mol
Monoisotopic mass: 175.00362073

Names & identifiers

Preferred name: Methyl 2-(chloromethyl)oxazole-4-carboxylate
IUPAC: methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate
English name: METHYL (2-CHLOROMETHYL)OXAZOLE-4-CARBOXYLATE
Molecular formula: C6H6ClNO3
Molecular weight: 175.57

Names & synonyms

208465-72-9methyl 2-(chloromethyl)oxazole-4-carboxylatemethyl 2-(chloromethyl)-1,3-oxazole-4-carboxylateDTXSID30376806RefChem:813670DTXCID90327834695-764-0Methyl (2-Chloromethyl)oxazole-4-carboxylate4-Oxazolecarboxylic acid, 2-(chloromethyl)-, methyl esterMFCD06660133Methyl 2-chloromethyl-4-oxazolecarboxylate2-chloromethyl-oxazole-4-carboxylic acid methyl ester

Show more names

2-(Chloromethyl)-4-(methoxycarbonyl)-1,3-oxazoleMETHYL 2-(CHLROMETHYL)-1,3-OXAZOLE-4-CARBOXYLATEMethyl2-(chloromethyl)-1,3-oxazole-4-carboxylate97%(2-chloromethyl)azole-4-carboxylic acidmethyl esterMethyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate 97%Methyl (2-Chloromethyl)Oxazole-4-Carboxylate(WX630102)

SCHEMBL393999CMUKPCIZFMTLKD-UHFFFAOYSA-NIIA46572SBB089093AKOS005255693DS-10527SY064235methyl2-(chloromethyl)oxazole-4-carboxylate

Database identifiers

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 74 °C · 74 °C
Boiling point: 230 ℃ · 230℃
Density: 1.339 · 1.339
Flash point: 93 ℃ · 93℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: -2.41 · -2.41±0.10(Predicted)
color: Off-white
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 22 · 22-26-36/37/39-45
Hazard Note: Corrosive
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.