CAS 1440-61-5 Morpholine, 4-(chloroacetyl)- (HCID 74040)

Substructure search Find similar structures

Basic information

CAS: 1440-61-5
Standard SMILES: O=C(CCl)N1CCOCC1
InChIKey: YMQRPXBBBOXHNZ-UHFFFAOYSA-N
Molecular formula: C6H10ClNO2
Average molar mass: 163.6 g/mol
Monoisotopic mass: 163.04000624

Names & identifiers

Preferred name: Morpholine, 4-(chloroacetyl)-
IUPAC: 2-chloro-1-morpholin-4-ylethanone
English name: 4-(2-Chloroacetyl)morpholine
Molecular formula: C6H10ClNO2
Molecular weight: 163.6

Names & synonyms

4-(Chloroacetyl)morpholineMorpholine, 4-(chloroacetyl)-N-(Chloroacetyl)morpholineChloroacetic acid morpholideEINECS 215-880-3AI3-23546NSC 54542RefChem:819481215-880-31440-61-54-(2-chloroacetyl)morpholine2-Chloro-1-(Morpholin-4-Yl)Ethan-1-One

Show more names

BUTTPARK 30\04-53AKOS BBS-00000944TIMTEC-BB SBB005580LABOTEST-BB LT000001294-(chloroacetyl)-morpholinchloroaceticacidmorpholide

2-chloro-1-morpholin-4-ylethanoneMFCD007219392-chloro-1-morpholinoethanone2-Chloro-1-(morpholin-4-yl)ethanone2-Chloro-1-morpholin-4-yl-ethanoneEthanone, 2-chloro-1-(4-morpholinyl)-Chloroacetic acid, morpholideN-chloroacetyl-morpholine

Database identifiers

CAS: 1440-61-5
PubChem CID: 74040
DTXSID: DTXSID9073258
ChEMBL: CHEMBL5403373
UNII: QDM98ZM5WS
EC Number: 215-880-3
Nikkaji: J246.861A

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 123

Physicochemical properties

Melting point: 26 · 26-30 °C
Boiling point: 152 · 152-160 °C(Press: 6 Torr)
Density: 1.257 g/mL · 1.257 g/mL at 25 °C
refractive index: 20 · n20/D 1.512
Flash point: 110 °C · 110 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: -1.26 · -1.26±0.20(Predicted)
form: Solid
color: Colourless to Pale Yellow Oil
Stability: Hygroscopic
CAS DataBase Reference: 1440 · 1440-61-5(CAS DataBase Reference)
EPA Substance Registry System: 4 · Morpholine, 4-(chloroacetyl)- (1440-61-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

Safety data

wgk: 3
ridadr: UN3261
hs_code: 29349990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H318-H302-H319
Precautionary statements: P305+P351+P338-P260h-P301+P330+P331-P303+P361+P353-P405-P501a