Basic information
- Standard SMILES
CCOC(O)C(Cl)(Cl)Cl- InChIKey
DLHWKJDYXPNWAI-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3O2
- Average molar mass
- 193.45 g/mol
- Monoisotopic mass
- 191.9511625
Overview
structure
Names & identifiers
- Preferred name
- Chloral alcoholate
- IUPAC
- 2,2,2-trichloro-1-ethoxyethanol
- English name
- 2,2,2-TRICHLORO-1-ETHOXYETHANOL
- Molecular formula
- C4H7Cl3O2
- Molecular weight
- 193.46
Names & synonyms
2,2,2-Trichloro-1-ethoxyethanolChloral alcoholateChloral semiacetalETHANOL, 2,2,2-TRICHLORO-1-ETHOXY-Ethanol chloral hemiacetalChloral ethylalcoholateChloral, ethyl hemiacetalTrichloroacetaldehyde monoethylacetalChloralalkoholatChloralalkoholat [Czech]1-Ethoxy-2,2,2-trichloroethanolNSC 8411
Show more names
Chloralacetalchloral-acetaltrichloroacetalChloralhemiacetalchloralethylalcoholatechloral diethyl acetalchloral,ethylhemiacetalethanolchloralhemiacetal
EINECS 208-211-1UNII-JU3I94Z61HEthanol, 1-ethoxy-2,2,2-trichloro-BRN 1209355NSC-8411CHLORAL ALCOHOLATE [MI]DTXSID908705774-01-00-03144 (Beilstein Handbook Reference)
Database identifiers
- CAS
515-83-3- PubChem CID
- 10587
- DTXSID
DTXSID90870577- UNII
- JU3I94Z61H
- EC Number
- 208-211-1
- Nikkaji
- J2.627A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.4
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 47 °C · 47 °C
- Boiling point
- 116 °C · 116 °C
- Density
- 1 · 1,143 g/cm3
- Flash point
- 116 °C · 116°C
- form
- Crystalline Powder, Crystals, Needles
- pka
- 10.84 · 10.84±0.20(Predicted)
- color
- White to light yellow
- Water Solubility
- Slightly soluble in Water.
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,2069
- BRN
- 1209355 · 1209355
- CAS DataBase Reference
- 515 · 515-83-3
- FDA UNII
- 3 I94Z61H · JU3I94Z61H
- EPA Substance Registry System
- 2 · Ethanol, 2,2,2-trichloro-1-ethoxy- (515-83-3)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310a-P321-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 23 · 23-36/37
- RTECS
- 4725000 · KM4725000
- TSCA
- TSCA listed
- HS Code
- 29110000 · 29110000
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 880 mg/kg JPETAB 78,340,43
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- KM4725000
- hs_code
- 29110000
- Toxicity
- LD50 orl-rat: 880 mg/kg JPETAB 78,340,43
- risk_code
- 22
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 23-36/37
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2,2-trichloro-1-ethoxy-: ACTIVE
Applications
Uses2,2,2-Trichloro-1-ethoxyethanol is used as a medicine, intermediates. It is used in the production of fluorine plastics.
Upstream & downstream products
Downstream products
Suppliers22 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.+86-13601750004 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
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