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Isophthaloyl dichloride

Isophthaloyl dichloride structure

CAS No:
99-63-8
Formula:
C8H4Cl2O2
Chemical Name:
Isophthaloyl dichloride
Synonyms:
1,3-benzenedicarboxylicacid,dichloride;1,3-Bis(chlorocarbonyl)benzene;chlorured’acidebenzodicarboxylique-1,3;chlorured’isophthaloyle;Dichlorid kyseliny isoftalove;dichloridkyselinyisoftalove;Isophthalic acid chloride;Isophthalic chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

white crystalline mass

DryPowder; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals

Isopthaloyl chloride acts as a crosslinking agent in various polymerization reactions.

Isophthaloyl dichloride Basic Attributes

Molecular Weight：

203.02

Exact Mass：

203.02

BRN：

638342

EC Number：

202-774-7

UNII：

6A3LDJ6CL3

NSC Number：

41884

TSCA：

TSCA listed

DSSTox ID：

DTXSID3026641|DTXSID5094602|DTXSID90745711

Color/Form：

White

HScode：

29173940

Characteristics

PSA：

34.1

XLogP3：

3.6

Appearance：

White Crystalline Mass

Density：

1,388 g/cm3

Melting Point：

43-44 °C(lit.)

Boiling Point：

276 °C(lit.)

Flash Point：

356 °F

Refractive Index：

1.5700 (estimate)

Water Solubility：

reacts

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.03 mm Hg ( 25 °C)

Toxicity：

LD50 orally in Rabbit: 2200 mg/kg LD50 dermal Rabbit 1410 mg/kg

Flammability characteristics：

Non flammable

Explosive limit：

1.5-8.9%(V)

Experimental Properties：

REACTIVE WITH WATER & ALCOHOL

Critical Temperature & Pressure：

Store below +30°C.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

C,T

safety instructions：

26-36/37/39-45-7/8-24/25

RTECS Number：

NT2625000

Marks：

C,T

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from alkali and oxidant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280, P302+P352, P312, P322, P363, P501

Hazard Statements：

21-34-37-35-23

RIDADR：

UN 3261 8/PG 2

GHS Classification：

|Danger|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 238 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H312: Harmful in contact with skin [Warning Acute toxicity, dermal]|P280, P302+P352, P312, P322, P363, and P501

Toxicity

Toxicity class：

practically nontoxic

Drug Information

Human Toxicity Excerpts：

IRRITANT TO EYES & SKIN.

MeSH Entry Terms：

1,3-benzenedicarbonyl chloride

Isophthaloyl dichloride Use and Manufacturing

Methods of Manufacturing

There are thionyl chloride method, phosphorus pentachloride method, phosgene method, dimethyl isophthalate chlorination method, isophthalic acid chlorination method. The phosgene method is mostly used, and the phosgenation reaction is usually carried out in the presence of a formamide catalyst. If the isophthalic acid is first converted into the meta-anhydride, and then the phosgenation reaction, the isophthaloyl chloride itself is used as the reaction solvent, and a higher yield can be obtained.

Uses

Used as pesticide, medicine, polymer intermediate

Intermediates

Intermediate, dyes, synthetic fibers, resins, films, protective coatings, laboratory reagent.

Isophthaloyl dichloride is used in a variety of performance polymers and fibers, where it impacts flame resistance, temperature stability, chemical resistance, and flexibility. In addition, it is an effective stabilizer for urethane prepolymers due to its ability to scavenge water. Also used in aromatic fiber raw materials.

Production

10,000,000 - 50,000,000 lb

Manufacturing Info：

1,3-Benzenedicarbonyl dichloride, homopolymer: INACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).|Adhesive manufacturing|1,3-Benzenedicarbonyl dichloride: ACTIVE

Computed Properties

Molecular Weight:203.02
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.9588348
Monoisotopic Mass:201.9588348
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isophthalic acid

Ethanol

Thionyl chloride

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