Ethanol, 2-chloro-, 1,1'-carbonate

HCID 69345CAS 623-97-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(OCCCl)OCCCl
InChIKey
WQULVXNWEYLDJY-UHFFFAOYSA-N
Molecular formula
C5H8Cl2O3
Average molar mass
187.02 g/mol
Monoisotopic mass
185.98504948

Names & identifiers

Preferred name
Ethanol, 2-chloro-, 1,1'-carbonate
IUPAC
bis(2-chloroethyl) carbonate
English name
Pentaerythrityl tetrabromide
Molecular formula
C5H8Cl2O3
Molecular weight
187.02

Names & synonyms

Bis(2-chloroethyl) carbonate623-97-2Ethanol, 2-chloro-, carbonate (2:1)Carbonic acid, bis(2-chloroethyl) esterEthamol, 2-chloro-, carbonateAI3-18766NSC 6290EINECS 210-823-9TL 259Ethanol, 2-chloro-, 1,1'-carbonateBRN 1762279WQULVXNWEYLDJY-UHFFFAOYSA-
Show more names
tl2592-Chloroethyl carbonate2-chloro-ethamocarbonate2-chloro-ethano carbonateDI(2-CHLOROETHYL) CARBONATEPENTAERYTHRITOL TETRABROMIDETETRAKIS(BROMOMETHYL)METHANEPentaerythrityl tetrabromide2-chloro-ethanocarbonate(2:1)
DTXSID509778594-03-00-00006 (Beilstein Handbook Reference)RefChem:592334DTXCID501405191210-823-9InChI=1/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2Carbonic acid bis(2-chloroethyl) esterBis(2-chloroethyl)carbonate

Database identifiers

CAS
623-97-2
PubChem CID
69345
DTXSID
DTXSID50977859
UNII
MT82Z9427A
EC Number
210-823-9
Nikkaji
J24.123G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
158 · 158-160 °C(lit.)
Boiling point
305 · 305-306 °C(lit.)
Density
2.596 g/mL · 2.596 g/mL at 25 °C(lit.)
refractive index
1.459 · 1.4590-1.4620
Flash point
10 °C · 10 °C
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (52 of 52) of all reports.

Not Classified

Aggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

F
10-21
wgk
3
tsca
TSCA listed
rtecs
FF7900000
hs_code
2920.19.5000
safety_code
22-24/25

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-chloro-, 1,1'-carbonate: ACTIVE

Suppliers27 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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