Basic information
- CAS
306935-83-1- Standard SMILES
Cc1cc(Cl)cc(Cl)c1N=C=S- InChIKey
INEPHFOQAAZPOE-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NS
- Average molar mass
- 218.1 g/mol
- Monoisotopic mass
- 216.9519757
Names & identifiers
- Preferred name
- 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
- IUPAC
- 1,5-dichloro-2-isothiocyanato-3-methylbenzene
- English name
- 2,4-DICHLORO-6-METHYLPHENYL ISOTHIOCYANATE
- Molecular formula
- C8H5Cl2NS
- Molecular weight
- 218.1
Names & synonyms
306935-83-11,5-dichloro-2-isothiocyanato-3-methylbenzene2,4-Dichloro-6-methylphenyl isothiocyanate2,4-dichloro-6-methylphenylisothiocyanateBenzene, 1,5-dichloro-2-isothiocyanato-3-methyl-MFCD00832696SCHEMBL1021835DTXSID80371083INEPHFOQAAZPOE-UHFFFAOYSA-NSBB095521AKOS030231157AS-9311
Show more names
Benzene, 1,5-dichloro-2-isothiocyanato-3-methyl- (9CI)4,6-Dichloro-o-tolyl isothiocyanate, 3,5-Dichloro-2-isothiocyanatotoluene, 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
2,4-dichloro-6-methylbenzenisothiocyanate1,5-dichloro-2-isothiocyanato-3-methyl-benzeneF518987
Database identifiers
- CAS
306935-83-1- PubChem CID
- 2736013
- DTXSID
DTXSID80371083
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 315.1 · 315.1±42.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 306935 · 306935-83-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Chemistry & industry
Suppliers10 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
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