CAS 6296-42-0 N-(2-Chloroethyl)urea (HCID 240817)

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Basic information

CAS: 6296-42-0
Standard SMILES: NC(=O)NCCCl
InChIKey: BITBMHVXCILUEX-UHFFFAOYSA-N
Molecular formula: C3H7ClN2O
Average molar mass: 122.55 g/mol
Monoisotopic mass: 122.02469052

Names & identifiers

Preferred name: N-(2-Chloroethyl)urea
IUPAC: 2-chloroethylurea
English name: 2-Chloroethylurea
Molecular formula: C3H7ClN2O
Molecular weight: 122.55

Names & synonyms

6296-42-0N-(2-Chloroethyl)ureaRefChem:10910272-Chloroethylurea1-(2-chloroethyl)urea(2-chloroethyl)ureachlorethylureachloroethylureaMFCD00059861chloroethyl urea2-chloro-ethylureaNSC47538

Show more names

Chloroeethylurea2-Chloroeethylurea2-Chloroethylurea >N-(2-Chloroethyl)ureaUrea, N-(2-chloroethyl)-1-(2-Chloroethyl)urea - [C92710]Aminomethylene malonate diethyl ester

.beta.-Chloroethylurea(2-chloro-ethyl)-ureaN-(2-Chloroethyl)urea #SCHEMBL896820SCHEMBL8193236SCHEMBL8567109DTXSID10286777N-(2-Chloroethyl)urea, AldrichCPR

Database identifiers

CAS: 6296-42-0
PubChem CID: 240817
DTXSID: DTXSID10286777
EC Number: 804-180-9
Nikkaji: J208.179B

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 66

Physicochemical properties

Melting point: 102 °C · 102°C
Boiling point: 213 · 213.0±32.0 °C(Predicted)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 13.28 · 13.28±0.46(Predicted)
form: powder to crystal
color: White to Almost white
Water Solubility: almost transparency
InChI: 1S/C3H7ClN2O/c4-1-2-6-3(5)7/h1-2H2,(H3,5,6,7)
InChIKey: BITBMHVXCILUEX-UHFFFAOYSA-N
SMILES: NC(=O)NCCCl
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: WGK 3
hs_code: 2924.19.8000
risk_code: 36/37/38-51-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37/39-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310