Basic information
- CAS
2077-46-5- Standard SMILES
Cc1c(Cl)ccc(Cl)c1Cl- InChIKey
UZYYBZNZSSNYSA-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3
- Average molar mass
- 195.5 g/mol
- Monoisotopic mass
- 193.9456832
Names & identifiers
- Preferred name
- 2,3,6-Trichlorotoluene
- IUPAC
- 1,2,4-trichloro-3-methylbenzene
- English name
- 2,3,6-Trichlorotoluene
- Molecular formula
- C7H5Cl3
- Molecular weight
- 195.47
Names & synonyms
2,3,6-TRICHLOROTOLUENE2077-46-5Benzene, 1,2,4-trichloro-3-methyl-19M2L15Z6UNSC-155908DTXSID8047767RefChem:81436DTXCID30277482,3,6-TCT218-202-41,2,4-Trichloro-3-methylbenzeneToluene, 2,3,6-trichloro-
Show more names
2,3,6-trichloro-toluen2,3,6-Trifluorotoluenetoluene,2,3,6-trichloro-BENZENE,1,2,4-TRICHLORO-3-MET1,2,4-trichloro-3-methyl-benzen1-Methyl-2,3,6-trichlorobenzene
2,3,6-TRICHOROTOLUENEMFCD00013623EINECS 218-202-4BRN 2327397UNII-19M2L15Z6U1,2,4-trichloro-3-methyl-benzeneNSC1559082,6-Trichlorotoluene
Database identifiers
- CAS
2077-46-5- PubChem CID
- 16378
- DTXSID
DTXSID8047767- UNII
- 19M2L15Z6U
- EC Number
- 218-202-4
- Nikkaji
- J59.701E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 35.64 °C · 35.64°C (estimate)
- Boiling point
- 230.4 °C · 230.4°C (estimate)
- Density
- 1.395 · 1.3950 (estimate)
- refractive index
- 1.567 · 1.5670 (estimate)
- solubility
- Chloroform (Soluble), Dichloromethane (Slightly), DMSO (Slightly)
- form
- Liquid
- color
- Colorless to pale yellow
- Henry's Law Constant
- 6.6 · 6.6×10-3 mol/(m3Pa) at 25℃, Oliver (1985)
- CAS DataBase Reference
- 2077 · 2077-46-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 19 M2L15Z6U · 19M2L15Z6U
- NIST Chemistry Reference
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 97.6% (40 of 41) of all reports.
Not Classified
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Toxicology
RAIS Toxicity Values
5e-05
HEAST Archive
EPA Provisional Peer-Reviewed Toxicity Values
2,3,6-Trichlorotoluene
PDF Document
2005
Safety data
- tsca
- TSCA listed
- rtecs
- XT9300000
- Toxicity
- LD50 orl-mus: 2000 mg/kg GISAAA 45(12),64,80
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,4-trichloro-3-methyl-: INACTIVE
Applications
Uses2,3,6-Trichlorotoluene (CAS#: 2077-46-5) is a useful research compound.
Suppliers60 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…