Chlorosuccinic acid

HCID 27655
NotesReactions
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Basic information

CAS
16045-92-4
Standard SMILES
O=C(O)CC(Cl)C(=O)O
InChIKey
QEGKXSHUKXMDRW-UHFFFAOYSA-N
Molecular formula
C4H5ClO4
Average molar mass
152.53 g/mol
Monoisotopic mass
151.9876363

Names & identifiers

Preferred name
Chlorosuccinic acid
IUPAC
2-chlorobutanedioic acid
English name
Chlorosuccinic acid
Molecular formula
C4H5ClO4
Molecular weight
152.53

Names & synonyms

CHLOROSUCCINIC ACID16045-92-42-Chlorosuccinic acidCCRIS 5678EINECS 240-188-3E7056CM1PKmonochlorosuccinic acidCHEBI:90244BUTANEDIOIC ACID, 2-CHLORO-RefChem:575955240-188-32-Chlorobutanedioic acid
Show more names
Chlorosuccinic acid 96%DL-A-CHLOROSUCCINIC ACIDDL-a-Chlorosuccinic acid 96%DL-ALPHA-CHLOROSUCCINIC ACID2-chlorosuccinic acid? (Tofacitinib Impurity）
CHLOROSUCCINICACIDchlorobutanedioic acidDTXSID7021526(R)-2-CHLOROSUCCINIC ACIDC4H5ClO4UNII-E7056CM1PKChlorbernsteinsaureMFCD00004225

Database identifiers

CAS
16045-92-4
PubChem CID
27655
DTXSID
DTXSID7021526
ChEMBL
CHEMBL3186215
ChEBI
CHEBI:90244
UNII
E7056CM1PK
EC Number
240-188-3
Nikkaji
J644K

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Melting point
150 · 150-153 °C(lit.)
Boiling point
210.59 °C · 210.59°C (rough estimate)
Density
1.5077 · 1.5077 (rough estimate)
refractive index
1.41 · 1.4100 (estimate)
pka
2.71 · 2.71±0.23(Predicted)
Water Solubility
180 g/L · 180g/L(20 ºC)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.；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

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3261 8/PG 2
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Applications · 1 item

UsesChlorosilicate is a chemical intermediate that can be used as a precursor for the synthesis of agrochemicals and other organic compounds. It can also be used as a chemical reagent in nucleophilic substitution reactions, in which the chlorine atom is replaced by a nucleophile, resulting in the formation of new carbon-nitrogen or carbon-oxygen bonds.

Upstream & downstream products

Suppliers22 total

Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]

Additional notes

DefinitionChEBI: A C4-dicarboxylic acid that is succinic acid substituted at position 2 by a chloro group.

Related reactions

3 records
New reaction record

Compound notes

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