CAS 2873-74-7 Pentanedioyl dichloride (HCID 17887)

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Basic information

CAS: 2873-74-7
Standard SMILES: O=C(Cl)CCCC(=O)Cl
InChIKey: YVOFTMXWTWHRBH-UHFFFAOYSA-N
Molecular formula: C5H6Cl2O2
Average molar mass: 169 g/mol
Monoisotopic mass: 167.97448479

Names & identifiers

Preferred name: Pentanedioyl dichloride
IUPAC: pentanedioyl dichloride
English name: GLUTARYL DICHLORIDE
Molecular formula: C5H6Cl2O2
Molecular weight: 169.01

Names & synonyms

GLUTARYL CHLORIDEGlutaryl dichloridePentanedioyl dichloride2873-74-7Glutaroyl dichlorideGlutaric acid dichlorideGlutaroyl chlorideGlutaryldichloride1,3-Bis(chlorocarbonyl)propaneEINECS 220-711-1MFCD00000755NSC 519867

Show more names

nsc519867Glutaryl chloridglutaroylchlorideGlutaryldichloridglutaroyldichlorideGlutarylChloride>glutaricaciddichloride

6PPM7UQR7VNSC-519867Glutaryl chloride (7CI,8CI)glutaric acid chlorideGlutaryl chloride, 97%UNII-6PPM7UQR7V1,5-Pentanedioyl chlorideSCHEMBL180666

Database identifiers

CAS: 2873-74-7
PubChem CID: 17887
DTXSID: DTXSID1062679
UNII: 6PPM7UQR7V
EC Number: 220-711-1
Nikkaji: J149.591G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 216 · 216-218 °C (lit.)
Density: 1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.472(lit.)
Flash point: 224 °F · 224 °F
storage temp.: RT, protect from light, stored under nitrogen
form: Liquid
color: Clear colorless to yellow or red-brownish
Sensitive: Moisture Sensitive
BRN: 1363191 · 1363191
InChI: 1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards Summary · 1 item

Causes somnolence and respiratory depression in oral lethal-dose studies of rats (LD50 = 190 uL/kg); [RTECS] Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (90.9%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: SA2583000
ridadr: UN 2922 8/PG 3
hs_code: 29171900
Toxicity: mouse,LD50,oral,350uL/kg (0.35mL/kg),GASTROINTESTINAL: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: OTHER CHANGES,National Technical Information Service. Vol. OTS0546489,