CAS 40987-25-5 4-Benzyl-2-(chloromethyl)morpholine (HCID 2801562)

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Basic information

CAS: 40987-25-5
Standard SMILES: ClCC1CN(Cc2ccccc2)CCO1
InChIKey: GVWRZZNYCOTWNN-UHFFFAOYSA-N
Molecular formula: C12H16ClNO
Average molar mass: 225.71 g/mol

Names & identifiers

Preferred name: 4-Benzyl-2-(chloromethyl)morpholine
IUPAC: 4-benzyl-2-(chloromethyl)morpholine
English name: 4-Benzyl-2-(chloromethyl)morpholine
Molecular formula: C12H16ClNO
Molecular weight: 225.71

Names & synonyms

4-benzyl-2-(chloromethyl)morpholineRefChem:518458692-342-840987-25-54-Benzyl-2-chloromethyl-morpholine2-Chloromethyl-4-benzylmorpholineMFCD02681886Morpholine, 2-(chloromethyl)-4-(phenylmethyl)-2-(chloromethyl)-4-(phenylmethyl)morpholine3-(Chloromethyl)-4-(phenylmethyl)morpholineSCHEMBL7357294-benzyl-2-chloromethylmorpholine

Show more names

4-BENZYL-2-(CHLOROMETHYL)MORPHOLINN-Benzyl-2-(chloromethyl)morpholine HCl

BUTTPARK 85\12-31GVWRZZNYCOTWNN-UHFFFAOYSA-N2-chloromethyl-4-benzyl morpholine2-chloromethyl-4-benzyl-morpholine4-benzyl-2-chloromethyl morpholine2-(chloromethyl)-4-benzylmorpholineSBB054965AKOS000122911

Database identifiers

CAS: 40987-25-5
PubChem CID: 2801562
EC Number: 692-342-8

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 46 °C · 46 °C
Boiling point: 120 · 120-122°C 1mm
Density: 1.132 · 1.132±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 6.09 · 6.09±0.10(Predicted)
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 40987 · 40987-25-5(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Danger
Hazard statements: 314 · H314-H411
Precautionary statements: 501 · P501-P273-P260-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Hazard Codes: C
Risk Statements: 36 · 36/37/38-34-36
Safety Statements: 26 · 26-36/37/39-45
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38-34-36
Signal word: Danger
Symbol(GHS): GHS05,GHS09
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H314-H411
Precautionary statements: P501-P273-P260-P264-P280-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405