Basic information
- CAS
13464-19-2- Standard SMILES
O=C(Cl)Sc1ccccc1- InChIKey
HBEFYGYBMKPNSZ-UHFFFAOYSA-N- Molecular formula
- C7H5ClOS
- Average molar mass
- 172.63 g/mol
- Monoisotopic mass
- 171.97496346
Names & identifiers
- Preferred name
- Carbonochloridothioic acid, S-phenyl ester
- IUPAC
- S-phenyl chloromethanethioate
- English name
- Phenyl chlorothioformate
- Molecular formula
- C7H5ClOS
- Molecular weight
- 172.63
Names & synonyms
13464-19-2s-phenyl carbonochloridothioateCarbonochloridothioic acid, S-phenyl esterS-Phenyl chlorothioformateEINECS 236-679-7DTXSID5065481RefChem:574554DTXCID9034238236-679-7Phenyl chlorothioformateS-phenyl chloromethanethioatePhenyl chlorothiolformate
Show more names
(Phenylthio)formyl chloridePhenyl chlorothioformate,98%(Phenylthio)formic acid chlorideChlorothioformic acid S-phenyl estercarbonochloridothioicacid,s-phenylesterchloromethanethioic acid S-phenyl esterChloridothiocarbonic acid S-phenyl ester
(Phenylthio)carbonyl chloride(phenylsulfanyl)carbonyl chlorideCarbonochloridothioicacid, S-phenyl esterFormic acid, chlorothio-, S-phenyl esterS-Phenyl chlorothiolformateS-Phenyl chloridothiocarbonateSCHEMBL979444S-Phenyl carbonylchloridothioate
Database identifiers
- CAS
13464-19-2- PubChem CID
- 83493
- DTXSID
DTXSID5065481- EC Number
- 236-679-7
- Nikkaji
- J113.568F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 104 °C · 104 °C(Press: 13 Torr)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- refractive index
- 1.5787 · 1.5787
- EPA Substance Registry System
- Carbonochloridothioic acid, S-phenyl ester (13464-19-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 3265 · UN3265
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 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)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN3265
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- Hazard statements
- H335-H302-H315-H319
- 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
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonochloridothioic acid, S-phenyl ester: INACTIVE
Suppliers15 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
上海敏寒医药科技有限公司17612188245 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
Related reactions
2 records
Compound notes
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