2,4,5-Trichloroaniline
Basic information
- CAS
636-30-6- 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
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
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
Related reactions
27 records
Compound notes
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