Basic information
- Standard SMILES
Nc1cc(Cl)c(Cl)cc1Cl- InChIKey
GUMCAKKKNKYFEB-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3N
- Average molar mass
- 196.5 g/mol
- Monoisotopic mass
- 194.94093217
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4,5-Trichloroaniline
- IUPAC
- 2,4,5-trichloroaniline
- English name
- 2,4,5-Trichloroaniline
- Molecular formula
- C6H4Cl3N
- Molecular weight
- 196.46
Names & synonyms
2,4,5-TRICHLOROANILINE636-30-6Benzenamine, 2,4,5-trichloro-Aniline, 2,4,5-trichloro-7XKK8S8WO0NSC-64139DTXSID5044152RefChem:82003DTXCID3024152211-254-9MFCD000076622,4,5-trichlorophenylamine
Show more names
245TCAC6H4NO5AKOS BBS-00003553TIMTEC-BB SBB0035852,4,5-Trichloroaniline,97%2,4,5-trichloro-benzenamin2,4,5-Trichloroaniline 95%
2,4,5-Trichloroaniline 10 microg/mL in CyclohexaneClonidine Impurity 9UNII-7XKK8S8WO02,4,5-trichlorobenzenamineCCRIS 2882NSC64139EINECS 211-254-9NSC 64139
Database identifiers
- CAS
636-30-6- PubChem CID
- 12487
- DTXSID
DTXSID5044152- UNII
- 7XKK8S8WO0
- EC Number
- 211-254-9
- Nikkaji
- J2.099K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Chemical ClassesTextile
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP3.31
Physicochemical properties
- Melting point
- 93 · 93-95 °C(lit.)
- Boiling point
- 270 °C · 270 °C(lit.)
- Density
- 1.6807 · 1.6807 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- Flash point
- 175 °C · 175 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.96 · 0.96±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 0.094 g/L · 0.094 g/L (15 ºC)
- BRN
- 879091 · 879091
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
- InChIKey
- GUMCAKKKNKYFEB-UHFFFAOYSA-N
- SMILES
- Nc1cc(Cl)c(Cl)cc1Cl
- CAS DataBase Reference
- 636 · 636-30-6(CAS DataBase Reference)
- FDA UNII
- 7 XKK8S8WO0 · 7XKK8S8WO0
- NIST Chemistry Reference
- 2 · Benzenamine, 2,4,5-trichloro-(636-30-6)
- EPA Substance Registry System
- 2 · 2,4,5-Trichloroaniline (636-30-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H410
- Precautionary statements
- 501 · P501-P273-P260-P270-P271-P264-P280-P391-P314-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- target organs
- Liver
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/24/25-33-50/53
- Safety Statements
- 28 · 28-36/37-45-60-61-28A
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29214210 · 29214210
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 199) of reports.
Danger
H301 (99.5%): 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 199 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 2,4,5-trichloro-
Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13468
2,4,5-Trichloroaniline: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenamine, 2,4,5-trichloro-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (99.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29214210
- risk_code
- 23/24/25-33-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N
- hazard_note
- Toxic
- safety_code
- 28-36/37-45-60-61-28A
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- target organs
- Liver
- Hazard statements
- H301+H311+H331-H373-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral
- Precautionary statements
- P501-P273-P260-P270-P271-P264-P280-P391-P314-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,4,5-trichloro-: ACTIVE
Applications
Uses2,4,5-Trichloroaniline is a chlorinated aniline used in the preparation of azo dyes, insecticides, herbicides as well as in antiviral agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
27 records
Linked notes
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