Basic information
- CAS
59293-67-3- Standard SMILES
SCc1ccc(Cl)cc1Cl- InChIKey
ZSPXTTVUJDSRNJ-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2S
- Average molar mass
- 193.09 g/mol
- Monoisotopic mass
- 191.95672655
Names & identifiers
- Preferred name
- 2,4-Dichlorobenzenemethanethiol
- IUPAC
- (2,4-dichlorophenyl)methanethiol
- English name
- 2,4-Dichlorobenzyl mercaptan
- Molecular formula
- C7H6Cl2S
- Molecular weight
- 193.09
Names & synonyms
59293-67-32,4-Dichlorobenzenemethanethiol2,4-Dichlorotoluene-alpha-thiolDTXSID70208016RefChem:1059717DTXCID90130507261-687-22,4-Dichlorobenzyl mercaptan(2,4-Dichlorophenyl)methanethiol2,4-DichlorobenzylmercaptanBenzenemethanethiol, 2,4-dichloro-MFCD00039650
Show more names
2,4-DICHLOROBENZYL THIOL2,4-dichloro-à-toluenethiol2,4-Dichlorobenzylmercaptane2,4-DichlorobenzylMercaptan>2,4-dichlorotoluene-alpha-thiol
CHEMBL12245612,4-dichlorophenylmethanethiol2,4-Dichloro-alpha-toluenethiolNSC33218EINECS 261-687-2AI3-314582,4-Dichlorothiobenzyl AlcoholSCHEMBL1802749
Database identifiers
- CAS
59293-67-3- PubChem CID
- 95756
- DTXSID
DTXSID70208016- ChEMBL
CHEMBL1224561- EC Number
- 261-687-2
- Nikkaji
- J308.656I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 150 · 150-151°C 12mm
- Density
- 1 · 1,36 g/cm3
- refractive index
- 1.6045 · 1.6045
- Flash point
- 150 · 150-151°C/12mm
- Water Solubility
- Insoluble in water
- form
- clear liquid
- color
- Colorless to Almost colorless
- Sensitive
- Air Sensitive
- BRN
- 509602 · 509602
- CAS DataBase Reference
- 59293 · 59293-67-3(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H335
- Precautionary statements
- 260 · P260-P280h-P305+P351+P338-P309-P310
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-26-36/37/39
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
Danger
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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 (16.7%)
Safety data
- ridadr
- 2810
- hs_code
- 2930909899
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 23-26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H331-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P280h-P305+P351+P338-P309-P310
Chemistry & industry
Suppliers46 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
7 records
Compound notes
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