Basic information
- CAS
5535-73-9- Standard SMILES
O=[N+]([O-])c1ccc(SCCCl)cc1- InChIKey
XSHHJXAFSBWTJU-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2S
- Average molar mass
- 217.67 g/mol
- Monoisotopic mass
- 216.9964274
Names & identifiers
- Preferred name
- Benzene, 1-((2-chloroethyl)thio)-4-nitro-
- IUPAC
- 1-(2-chloroethylsulfanyl)-4-nitrobenzene
- English name
- 1-[(2-chloroethyl)thio]-4-nitrobenzene
- Molecular formula
- C8H8ClNO2S
- Molecular weight
- 217.67262
Names & synonyms
5535-73-92-Chloroethyl 4-nitrophenyl sulfideSulfide, 2-chloroethyl p-nitrophenyl1-[(2-chloroethyl)thio]-4-nitrobenzeneEINECS 226-892-3Benzene, 1-((2-chloroethyl)thio)-4-nitro-BRN 24471631-((2-Chloroethyl)thio)-4-nitrobenzeneBenzene, 1-[(2-chloroethyl)thio]-4-nitro-DTXSID90203907NSC 202602RefChem:562336
Show more names
DTXCID80126398Benzene, 1-((2-chloroethyl)thio)-4-nitro-(9CI)226-892-32-Chloroethyl p-nitrophenyl sulfide(2-chloroethyl)(4-nitrophenyl)sulfane1-[(2-Chloroethyl)sulfanyl]-4-nitrobenzeneNSC-202602starbld0037121
Database identifiers
- CAS
5535-73-9- PubChem CID
- 79666
- DTXSID
DTXSID90203907- UNII
- 37V6P7V4DJ
- EC Number
- 226-892-3
- Nikkaji
- J210.581K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- FDA UNII
- 37 V6P7V4DJ · 37V6P7V4DJ
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
1 records
Compound notes
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