Basic information
- CAS
16911-89-0- Standard SMILES
S=C(Cl)Sc1ccccc1- InChIKey
XEXIHCWFFNGQDE-UHFFFAOYSA-N- Molecular formula
- C7H5ClS2
- Average molar mass
- 188.7 g/mol
- Monoisotopic mass
- 187.95211984
Names & identifiers
- Preferred name
- Phenyl Chlorodithioformate
- IUPAC
- phenyl chloromethanedithioate
- English name
- Phenyl chlorodithioformate
- Molecular formula
- C7H5ClS2
- Molecular weight
- 188.7
Names & synonyms
Phenyl chlorodithioformate16911-89-0Carbonochloridodithioic acid, phenyl esterFormic acid, chlorodithio-, phenyl esterDTXSID20343845RefChem:172951DTXCID00294922627-860-5XEXIHCWFFNGQDE-UHFFFAOYSA-Nphenyl chloromethanedithioatePhenyl carbonochloridodithioateMFCD00013429
Show more names
PHENYL DITHIOCHLOROFORMATEPhenylChlorodithioformate>Phenyl carbonochloridodithioate(Phenylthio)thioformyl chloride
Chlorodithioformic Acid Phenyl EsterC7H5ClS2phenyl(chloro)dithioformatephenylthiomethanethioyl chlorideSCHEMBL1824547Phenyl chloridodithiocarbonate #Phenyl chlorodithioformate, 95%Phenyl chlorodithioformate, 97%
Database identifiers
- CAS
16911-89-0- PubChem CID
- 592675
- DTXSID
DTXSID20343845- EC Number
- 627-860-5
- Nikkaji
- J117.425H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 135 °C/15 · 135 °C/15 mmHg (lit.)
- Density
- 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6688(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Light yellow to Amber to Dark green
- InChI
- 1S/C7H5ClS2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
- InChIKey
- XEXIHCWFFNGQDE-UHFFFAOYSA-N
- SMILES
- ClC(=S)Sc1ccccc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1760 · UN 1760 8/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2930.9 · 2930.90.2900
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1760 8/PG 3
- hs_code
- 2930.90.2900
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesPhenyl chlorodithioformate was used in synthesis of phenyl arylsulfonyl-alkyl-dithiocarbamates. It was also used in synthesis of S-phenyl O-(4-nitrophenyl)dithiocarbonate.
General DescriptionKinetics and mechanism of solvolysis reaction of phenyl chlorodithioformate was reported.
Suppliers27 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941
上海源叶生物科技有限公司13636370518 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
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