2,3,4-Trichloroaniline

HCID 12464

Notes Reactions

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Basic information

CAS: 54686-91-8
Standard SMILES: Nc1ccc(Cl)c(Cl)c1Cl
InChIKey: RRJUYQOFOMFVQS-UHFFFAOYSA-N
Molecular formula: C6H4Cl3N
Average molar mass: 196.5 g/mol
Monoisotopic mass: 194.94093217

Names & identifiers

Preferred name: 2,3,4-Trichloroaniline
IUPAC: 2,3,4-trichloroaniline
English name: 2,3,4-trichloroaniline
Molecular formula: C6H4Cl3N
Molecular weight: 196.46

Names & synonyms

2,3,4-TRICHLOROANILINE634-67-3Benzenamine, 2,3,4-trichloro-Aniline, 2,3,4-trichloro-CCRIS 2397EINECS 211-215-6NSC 8929784PW2M8B8CNSC-89297DTXSID20220981-AMINO-2,3,4-TRICHLOROBENZENERefChem:441720

Show more names

DTXCID102098Aniline, 2,3,4-trichloro-(8CI)Benzenamine, 2,3,4-trichloro-(9CI)211-215-6InChI=1/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10HUNII-84PW2M8B8CMFCD000428192,4-Trichloroaniline

Database identifiers

CAS: 54686-91-8、634-67-3
PubChem CID: 12464
DTXSID: DTXSID2022098
UNII: 84PW2M8B8C
EC Number: 211-215-6
Nikkaji: J134.593A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Experimental & physicochemical properties

Chemical ClassesTextile

Physicochemical properties

Melting point: 67 · 67 - 68°C
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
FDA UNII: 84 PW2M8B8C · 84PW2M8B8C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Chemistry & industry

Applications · 1 item

Uses2,3,4-Trichloroaniline is used as a reagent in the synthesis of SYP-10913 and SYP-11277, compounds that exhibit potent acaricidal activity. It also used as a reagent in the synthesis of dioxin-like monofluorinated polychlorinated biphenyls (PCBs) for the use as internal standards in PCB analysis.