Basic information
- CAS
17672-53-6- Standard SMILES
O=P(Cl)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl- InChIKey
ZHHCWQGVXYGWCW-UHFFFAOYSA-N- Molecular formula
- C4H4Cl7O3P
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 375.771775
Names & identifiers
- Preferred name
- Bis(2-trichloroethyl) chlorophosphonate
- IUPAC
- 1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethane
- English name
- Bis(2,2,2-trichloroethyl) phosphorochloridate
- Molecular formula
- C4H4Cl7O3P
- Molecular weight
- 379.22
Names & synonyms
17672-53-6Bis(2-trichloroethyl) chlorophosphonatePhosphorochloridic acid, bis(2,2,2-trichloroethyl) esterEINECS 241-650-7DTXSID90170180RefChem:568813DTXCID4092671241-650-7Bis(2,2,2-trichloroethyl) phosphorochloridate1,1,1-trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethaneBis(2,2,2-trichloroethyl) Chlorophosphate; 1,1,1-Trichloro-2-[chloro(2,2,2-trichloroethoxy)phosphoryl]oxyethaneSCHEMBL312923
Show more names
Bis(2,2,2-trichloethyl)phosphorochloridateBis(2,2,2-trichloromethyl)PhosphorochloridateBis(2,2,2-trichloroethyl) phosphorochloridate 98%Bis(2,2,2-trichloroethyl) phosphorochloridate,98%Chloridophosphoric acid bis(2,2,2-trichloroethyl) ester
ZHHCWQGVXYGWCW-UHFFFAOYSA-ZHHCWQGVXYGWCW-UHFFFAOYSA-NAKOS015913128NS00025812bis(2,2,2-trichloroethyl)phosphoryl chlorideH54946Bis(2,2,2-trichloroethyl) phosphorochloridate, 98%1,1,1-trichloro-2-(chloro-(2,2,2-trichloroethoxy)phosphoryl)oxyethane
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 45 · 45-47 °C (lit.)
- Boiling point
- 351 · 351.0±42.0 °C(Predicted)
- Density
- 1.795 · 1.795±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- solid
- Appearance
- White to off-white Solid
- BRN
- 1820707 · 1820707
- InChI
- 1S/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
- InChIKey
- ZHHCWQGVXYGWCW-UHFFFAOYSA-N
- SMILES
- ClC(Cl)(Cl)COP(Cl)(=O)OCC(Cl)(Cl)Cl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29209085
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
Chemistry & industry
Applications
UsesBis(2,2,2-trichloroethyl) phosphorochloridate was used in the preparation of epimeric 6-deoxyhexofuranosyl nucleoside 5′ -phosphate.
Suppliers13 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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