Isophthalic acid

Names

[ CAS No. ]:
121-91-5

[ Name ]:
Isophthalic acid

[Synonym ]:
5-CARBOXAMINODOTRYPTAMINE
5-CARBOXAMIDOTRYPTAMINE HEMIETHANOLATE MALEATE SALT
Isophthalic acid
iso-phthalic acid
benzene-1,3-dicarboxylic acid
MFCD00002516
1,3-Benzenedicarboxylic acid
EINECS 204-506-4
5-carboxamidotrypamine
5-Carboxamidotryptamine
2-Carboxyamidotryptamine
5-carboxybenzoic acid
isophthalic_acid
5-CT
5-Carboxamide tryptamine
isophtalic acid
5-Carboxyamidotryptamine
1,3-benzene dicarboxylic acid
m-phthalic acid
Benzen-1,3-Dicarboxylic acid
hydrogen isophthalate
5-CAT

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
412.3±28.0 °C at 760 mmHg

[ Melting Point ]:
341-343 °C(lit.)

[ Molecular Formula ]:
C₈H₆O₄

[ Molecular Weight ]:
166.131

[ Flash Point ]:
217.3±20.5 °C

[ Exact Mass ]:
166.026611

[ PSA ]:
74.60000

[ LogP ]:
1.66

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.618

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases.

[ Water Solubility ]:
0.01 g/100 mL (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NT2007000

CHEMICAL NAME :: Isophthalic acid

CAS REGISTRY NUMBER :: 121-91-5

BEILSTEIN REFERENCE NO. :: 1909332

LAST UPDATED :: 199701

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C8-H6-O4

MOLECULAR WEIGHT :: 166.14

WISWESSER LINE NOTATION :: QVR CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,317,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10400 mg/kg

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

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,317,1986

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4200 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 246,851,1958 *** REVIEWS *** TOXICOLOGY REVIEW BPCT** Progress Report from the Environmental Protection Agency to NIOSH on Benzenepolycarboxylates, 1974 Volume(issue)/page/year: -,183,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82897 No. of Facilities: 3665 (estimated) No. of Industries: 67 No. of Occupations: 68 No. of Employees: 55161 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82897 No. of Facilities: 8709 (estimated) No. of Industries: 59 No. of Occupations: 49 No. of Employees: 117411 (estimated) No. of Female Employees: 17858 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25-S36-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
NT2007000

[ HS Code ]:
29173980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2917391000

[ Summary ]:
2917391000 isophthalic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0%

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Related Compounds

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