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Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate

HCID 80518
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6294-34-4
Standard SMILES
O=P(CCCl)(OCCCl)OCCCl
InChIKey
XXIDKSWYSYEFAG-UHFFFAOYSA-N
Molecular formula
C6H12Cl3O3P
Average molar mass
269.5 g/mol
Monoisotopic mass
267.958964

Names & identifiers

Preferred name
Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
IUPAC
1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
English name
Bis(beta-chloroethyl)-beta-chloroethyl phosphonate
Molecular formula
C6H12Cl3O3P
Molecular weight
269.49

Names & synonyms

6294-34-4Bis(2-chloroethyl) (2-chloroethyl)phosphonateBis(2-chloroethyl) 2-chloroethylphosphonatePhosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) esterBis-chloroethyl 2-chloroethanephosphonate4E2R2KWC27NSC-9297Bis(beta-chloroethyl) beta-chloroethylphosphonateEthanol, 2-chloro-, (2-chloroethyl)phosphonate (2:1)DTXSID80276182-chloroethylphosphonic acid bis(2-chloroethyl) esterRefChem:568707
Show more names
cp877antiblage78AURORA KA-1439bis(2-Chloroethyl)2-chloroethylphosphatebis-chloroethyl2-chloroethanephosphonatebis(2-chloroethyl)2-chloroethylphosphonateBis-2-chloroethyl-2-chloroethylphosphonateBis(B-chloroethyl)-B-chloroethylPhosphonate(2-CHLOROETHYL)BIS(2-CHLOROETHYL)PHOSPHONATEDI-(2-CHLOROETHYL) 2-CHLOROETHYL PHOSPHONATE
bis(ClEt) ClEt-phosphonateDTXCID407618Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate228-557-71-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethaneBis(beta-chloroethyl)-beta-chloroethyl phosphonateMFCD00013690Antiblage 78

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
13
Formal charge
0
Complexity
155

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point
25 · 25-26 °C
Boiling point
161 · 161-163 °C(Press: 4 Torr)
Density
1.391 · 1.391
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
Acetonitrile (Slightly), Chloroform (Slightly)
form
Oil
color
Clear Colourless
Stability
Hygroscopic
FDA UNII
4 E2R2KWC27 · 4E2R2KWC27
EPA Substance Registry System
Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester (6294-34-4)
Symbol(GHS)
8 · GHS08,GHS07
Signal word
Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H361 (75.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H373 (75.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (75.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester

Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%);Repr. 2 (75.5%);STOT RE 2 (75.5%);Aquatic Chronic 3 (75.5%)

Regulatory information

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 5,000,000 - <10,000,000 lb;2022: 5,000,000 - <10,000,000 lb;2021: 5,000,000 - <10,000,000 lb;2020: 10,000,000 - <50,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester: ACTIVE

Applications

UsesBis(2-chloroethyl) (2-Chloroethyl)phosphonate is used in the production of 2-Chloroethylphosphonic acid which is used as a plant regulator in agriculture.

Upstream & downstream products

Upstream raw materials

Phosphonic acidTris(2-chloroethyl) phosphite

Downstream products

Bis(2-chloroethyl) vinylphosphonate

Suppliers18 total

艾吉析科技(上海)有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

5 records
New reaction record
HRID 224913 reaction equation
HRID 224913As productuspto-grants-1980_11
HRID 579819 reaction equation
HRID 579819As reactantuspto-grants-1988_06
HRID 818137 reaction equation
HRID 818137As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1448027 reaction equation
HRID 1448027As productuspto-grants-1979_12
HRID 2394934 reaction equation
HRID 2394934As productuspto-grants-1998_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
6294-34-4
PubChem CID
80518
DTXSID
DTXSID8027618
UNII
4E2R2KWC27
EC Number
228-557-7
Nikkaji
J186.571D
361 · H361-H412-H302-H373
Precautionary statements
273 · P273-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
TSCA
TSCA listed
Toxicity
50 orl-rat: · LD50 orl-rat: 880 mg/kg NTIS** OTS0540437
Regulatory Information · 3 items

Chemical: Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester

Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(2-chloroethyl)-, bis(2-chloroethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

tsca
TSCA listed
Toxicity
LD50 orl-rat: 880 mg/kg NTIS** OTS0540437
Signal word
Warning
Symbol(GHS)
GHS08,GHS07
Hazard statements
H361-H412-H302-H373
Precautionary statements
P273-P501-P260-P314-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
上海皓鸿生物医药科技有限公司
400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
赫德瑞意(上海)新材料有限公司021-34202258 19391107643 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]