Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-
Basic information
- CAS
62491-89-8- Standard SMILES
O=C(NCCCl)Nc1ccccn1- InChIKey
KRXWZDLRVLENPP-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O
- Average molar mass
- 199.64 g/mol
- Monoisotopic mass
- 199.0512396
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-
- IUPAC
- 1-(2-chloroethyl)-3-pyridin-2-ylurea
- English name
- Urea, N-(2-chloroethyl)-N'-2-pyridinyl-
- Molecular formula
- C8H10ClN3O
- Molecular weight
- 199.64
Names & synonyms
62491-89-8Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-1-(2-Chloroethyl)-3-(2-pyridyl)ureaNSC 162082BRN 0475158DTXSID10211529RefChem:387341DTXCID90134020NSC1620821-(2-chloroethyl)-3-(pyridin-2-yl)ureaNSC-162082N-(2-Chloroethyl)-N'-(2-pyridinyl)urea
Show more names
Urea, N-(2-chloroethyl)-N'-2-pyridinyl-SDR5VH8S4HSCHEMBL5050746KRXWZDLRVLENPP-UHFFFAOYSA-NN-(2-Chloroethyl)-N'-2-pyridinylureaDB-126477N-(2-Chloroethyl)-N'-(pyridin-2-yl)urea
Database identifiers
- CAS
62491-89-8- PubChem CID
- 98714
- DTXSID
DTXSID10211529- UNII
- SDR5VH8S4H
- EC Number
- 111-234-9
- Nikkaji
- J83.915I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H10ClN3O/c9-4-6-11-8(13)12-7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H2,10,11,12,13)
- InChIKey
- KRXWZDLRVLENPP-UHFFFAOYSA-N
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310-H315-H317-H319-H400
- Precautionary statements
- 262 · P262-P273-P280-P301+P310+P330-P302+P352+P310-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 2 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
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
H300+H310 (100%): Fatal if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310-H315-H317-H319-H400
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P262-P273-P280-P301+P310+P330-P302+P352+P310-P391
Suppliers
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Related reactions
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Compound notes
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