3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol

HCID 603976

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Basic information

CAS: 84145-68-6
Standard SMILES: O=[N+]([O-])c1cc(Cl)ccc1NCCCO
InChIKey: JHJLKWHUMFLDJE-UHFFFAOYSA-N
Molecular formula: C9H11ClN2O3
Average molar mass: 230.65 g/mol
Monoisotopic mass: 230.04581989

Names & identifiers

Preferred name: 3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol
IUPAC: 3-(4-chloro-2-nitroanilino)propan-1-ol

Names & synonyms

84145-68-63-[(4-chloro-2-nitrophenyl)amino]propan-1-ol3-((4-Chloro-2-nitrophenyl)amino)propan-1-olEINECS 282-296-3DTXSID102330693-[(4-chloro-2-nitrophenyl)amino]-1-propanol3-((4-Chloro-2-nitrophenyl)amino)-1-propanolRefChem:488586DTXCID60155560282-296-34-Chloro-N-(3-hydroxypropyl)-2-nitroaniline3-(4-Chloro-2-nitroanilino)-1-propanol

Show more names

3-(4-chloro-2-nitroanilino)propan-1-ol3-(4-Chloro-2-nitro-phenylamino)-propan-1-olSCHEMBL2796146SCHEMBL29580293STK045457AKOS000294277ST0063933-(4-Chloro-2-nitroanilino)-1-propanol #

Database identifiers

CAS: 84145-68-6
PubChem CID: 603976
DTXSID: DTXSID10233069
EC Number: 282-296-3
Nikkaji: J333.043E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 210

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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. Each notification may be associated with multiple companies.