Basic information
- CAS
13908-02-6- Standard SMILES
CC(C)(C)NC(=O)NCCCl- InChIKey
GKCWAQWESJZYIT-UHFFFAOYSA-N- Molecular formula
- C7H15ClN2O
- Average molar mass
- 178.66 g/mol
- Monoisotopic mass
- 178.08729078
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-(2-chloroethyl)urea
- IUPAC
- 1-tert-butyl-3-(2-chloroethyl)urea
- English name
- Urea,N-(2-chloroethyl)-N'-(1,1-dimethylethyl)-
- Molecular formula
- C7H15ClN2O
- Molecular weight
- 178.66
Names & synonyms
1-tert-butyl-3-(2-chloroethyl)urea13908-02-6DTXSID60303802RefChem:235394DTXCID90254934863-019-0Urea, N-(2-chloroethyl)-N'-(1,1-dimethylethyl)-NSC162151SCHEMBL2958802GKCWAQWESJZYIT-UHFFFAOYSA-NNAA90802AKOS008937194
Show more names
Urea,N-(2-chloroethyl)-N'-(1,1-dimethylethyl)-
N-tert-Butyl-N'-(2-chloroethyl)ureaEBC-607995NSC-1621511-(tert-butyl)-3-(2-chloroethyl)urean-(tert-butyl)-n'-(2-chloroethyl)ureaDB-121149CS-0225086EN300-122652
Database identifiers
- CAS
13908-02-6- PubChem CID
- 294163
- DTXSID
DTXSID60303802- EC Number
- 863-019-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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