Basic information
- CAS
7534-64-7- Standard SMILES
N#CSCc1c(Cl)cccc1Cl- InChIKey
IBWINXSTXHFYMY-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NS
- Average molar mass
- 218.1 g/mol
- Monoisotopic mass
- 216.9519757
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzyl thiocyanate
- IUPAC
- (2,6-dichlorophenyl)methyl thiocyanate
- English name
- 2,6-Dichlorobenzyl thiocyanate
- Molecular formula
- C8H5Cl2NS
- Molecular weight
- 218.1
Names & synonyms
2,6-Dichlorobenzyl thiocyanate7534-64-71,3-dichloro-2-(thiocyanatomethyl)benzene(2,6-dichlorophenyl)methyl thiocyanate4E4RV03XX5EINECS 231-401-0NSC-118097UNII-4E4RV03XX5DTXSID10226299NSC 118097Thiocyanic acid, (2,6-dichlorophenyl)methyl esterRefChem:83186
Show more names
2,6-Dichlorobenzyl thiocyate, 98%2,6-Dichlorobenzyl thiocyanate,99%Thiocyanic acid 2,6-dichlorobenzyl esterDextropropoxyphene Hydrochloride Impurity 8
DTXCID60148790231-401-0IBWINXSTXHFYMY-UHFFFAOYSA-NMFCD00019766[(2,6-dichlorophenyl)methyl]thiocarbonitrileNSC118097{[(2,6-dichlorophenyl)methyl]sulfanyl}carbonitrileSBB071497
Database identifiers
- CAS
7534-64-7- PubChem CID
- 82034
- DTXSID
DTXSID10226299- UNII
- 4E4RV03XX5
- EC Number
- 231-401-0
- Nikkaji
- J265.576D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 39 · 39-42 °C
- Density
- 1.4552 · 1.4552 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- FDA UNII
- 4 E4RV03XX5 · 4E4RV03XX5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HazardClass
- IRRITANT-HARMFUL
- HS Code
- 29309099 · 29309099
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
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 29309099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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