m-phthaloyl chloride

Names

[ CAS No. ]:
99-63-8

[ Name ]:
m-phthaloyl chloride

[Synonym ]:
EINECS 202-774-7
Isophthaloyl dichloride
1,3-Benzenedicarbonyl dichloride
MFCD00000678
benzene-1,3-dicarbonyl dichloride
isophthalic acid dichloride
m-phthaloyl chloride

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
276.7±13.0 °C at 760 mmHg

[ Melting Point ]:
43-44 °C(lit.)

[ Molecular Formula ]:
C₈H₄Cl₂O₂

[ Molecular Weight ]:
203.022

[ Flash Point ]:
131.9±15.4 °C

[ Exact Mass ]:
201.958832

[ PSA ]:
34.14000

[ LogP ]:
2.48

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.571

[ Water Solubility ]:
reacts

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NT2625000

CHEMICAL NAME :: Isophthaloyl chloride

CAS REGISTRY NUMBER :: 99-63-8

BEILSTEIN REFERENCE NO. :: 0638342

LAST UPDATED :: 199710

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C8-H4-Cl2-O2

MOLECULAR WEIGHT :: 203.02

WISWESSER LINE NOTATION :: GVR CVG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,475,1969

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >31 gm/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533736

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2221 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Behavioral - changes in motor activity (specific assay)

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 47(7),75,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1175 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Behavioral - changes in motor activity (specific assay)

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 47(7),75,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1410 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1817 mg/kg/22W-I

TOXIC EFFECTS :: Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 47(7),75,1982

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg/2W-I

TOXIC EFFECTS :: Gastrointestinal - alteration in gastric secretion Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533736 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4719 No. of Facilities: 23 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 45 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H312-H314-H331

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S7/8-S24/25

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
NT2625000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29173940

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Isophthalic acid
phosgene
Benzene,1,3-bis(trichloromethyl)-
Tributylphosphine oxide
Isophthalaldehyde
Terephthalaldehyde
Dimethyl isophthalate
Ethanol
Phosphorus pentachloride
Acetyl chloride

DownStream

3-[chloro(dimethyl)silyl]benzoyl chloride
m-Dibenzoylbenzene
3-BENZOYLBENZOIC ACID
N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-yl)isophthalamide
1,3-Benzenedicarboxamide, N,N,N',N'-tetramethyl-
3-(3-trimethylsilylprop-2-ynoyl)benzoyl chloride
N,N'-Dihydroxyisophthalamide
5-chloroisophthalic acid
3-(ETHOXYCARBONYL)BENZOIC ACID
1-N,3-N-bis(4-cyanophenyl)benzene-1,3-dicarboxamide

Customs

[ HS Code ]: 2917399090

[ Summary ]:
2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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Hydrogels synthesized from poly(l-lysine isophthalamide) (PLP) crosslinked with l-lysine methyl ester were investigated as drug delivery systems for a wide size range of molecules (0.3-2000kDa). PLP i...

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Amino Acids 42(5) , 1997-2007, (2012)

N,N'-Bis[2-(methyl-3-(4-hydroxyphenyl)propanoate)]isophthaldiamide (5), a novel diol monomer containing chiral group, was prepared by the reaction of S-tyrosine methyl ester (3) with isophthaloyl dich...

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