Basic information
- Standard SMILES
OCC(Cl)Cl- InChIKey
IDJOCJAIQSKSOP-UHFFFAOYSA-N- Molecular formula
- C2H4Cl2O
- Average molar mass
- 114.96 g/mol
- Monoisotopic mass
- 113.96392011
Overview
2,2-dichloroethanol is a clear pale yellow liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,2-Dichloroethanol
- IUPAC
- 2,2-dichloroethanol
- English name
- 2,2-DICHLOROETHANOL
- Molecular formula
- C2H4Cl2O
- Molecular weight
- 114.96
Names & synonyms
2,2-DICHLOROETHANOL598-38-9DichloroethanolEthanol, 2,2-dichloro-RU6JX11G7WNSC-60513DTXSID4024989RefChem:80988DTXCID204989209-931-92,2-dichloroethan-1-ol2,2-Dichloro-ethanol
Show more names
CID1010005282,2-dichloro-ethanoGlycerol Impurity 1322,2-DICHLOROETHYL ALCOHOL2,2-DICHLORO-1-HYDROXYETHANEC12422350 2,2-Dichloroethanol
EINECS 209-931-9NSC 60513UNII-RU6JX11G7WBRN 17316332.2-DichloroethanolSCHEMBL949SCHEMBL403672,2-Dichloroethanol, 99%
Database identifiers
- CAS
598-38-9- PubChem CID
- 11718
- DTXSID
DTXSID4024989- ChEMBL
CHEMBL113957- UNII
- RU6JX11G7W
- EC Number
- 209-931-9
- Nikkaji
- J1.650K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 21.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Density1.404 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilitygreater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Flash Point173 °F (NTP, 1992)
Boiling Point295 °F at 760 mmHg (NTP, 1992)
Physical Description2,2-dichloroethanol is a clear pale yellow liquid. (NTP, 1992)
Physicochemical properties
- Boiling point
- 146 °C · 146 °C (lit.)
- Density
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.473(lit.)
- Flash point
- 173 °F · 173 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform
- pka
- 13.09 · 13.09±0.10(Predicted)
- form
- Oil
- color
- Colourless
- Henry's Law Constant
- 3.7 · 3.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Stability
- Stable. Combustible. Incompatible with oxidizing agents.
- InChI
- InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
- InChIKey
- IDJOCJAIQSKSOP-UHFFFAOYSA-N
- SMILES
- C(O)C(Cl)Cl
- CAS DataBase Reference
- 598 · 598-38-9
- FDA UNII
- 6 JX11G7W · RU6JX11G7W
- EPA Substance Registry System
- 2 · 2,2-Dichloroethanol (598-38-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H351
- Precautionary statements
- 202 · P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-40
- Safety Statements
- 7 · 7-23-36/37/39-45
- WGK Germany
- 3 · 3
- RTECS
- 4100000 · KK4100000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the skin.
Reactive GroupAlcohols and Polyols
Reactivity Profile2,2-DICHLOROETHANOL is incompatible with oxidizing agents. (NTP, 1992)
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KK4100000
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 7-23-36/37/39-45
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302+H312+H332-H351
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
- Precautionary statements
- P202-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationEthanol, 2,2-dichloro-: INACTIVE
Applications
Uses2,2-Dichloroethanol is a reagent in the preparation of tunable molecular catalysts via functionalizing methylene bridge of bis(N-heterocyclic carbene) ligands.
General DescriptionClear pale yellow liquid.
Suppliers31 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
苏州众联汇创生物医药有限公司13222205691 · [email protected]
Related reactions
3 records
Linked notes
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