Basic information
- CAS
15145-37-6- Standard SMILES
O=C(NCCCl)Nc1ccc(Cl)c(Cl)c1- InChIKey
NAGCPPYNSJHGKC-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3N2O
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 265.978046
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)urea
- English name
- N-(2-Chloroethyl)-N'-(3,4-dichlorophenyl)urea
- Molecular formula
- C9H9Cl3N2O
- Molecular weight
- 267.54
Names & synonyms
15145-37-6Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-DTXSID10164788RefChem:1100724DTXCID10872791-(2-Chloroethyl)-3-(3,4-dichlorophenyl)ureaN-(2-CHLOROETHYL)-N'-(3,4-DICHLOROPHENYL)UREA3-(2-chloroethyl)-1-(3,4-dichlorophenyl)ureaMFCD01676684Urea, N-(2-chloroethyl)-N'-(3,4-dichlorophenyl)-N-(2-CHLOROETHYL)-N/'-(3,4-DICHLOROPHENYL)UREAC9H9Cl3N2O
Show more names
1-{[(2-Chloroethyl)carbamoyl]amino}-3,4-dichlorobenzeneN-(2-Chloroethyl)-N′-(3,4-dichlorophenyl)urea, CAS 15145-37-6
NSC 107547BRN 2846258NSC107547AKOS005072740FA-0874NSC-107547CS-0447112
Database identifiers
- CAS
15145-37-6- PubChem CID
- 97236
- DTXSID
DTXSID10164788- Nikkaji
- J83.849G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 120 · 120-122
- Boiling point
- 354 · 354.0±42.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2924210090 · 2924210090
- Toxicity
- 50 · mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09000,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924210090
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09000,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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