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118-92-3

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Basic Information
CAS No.: 118-92-3
Name: 2-Aminobenzoic acid
Article Data: 473
Molecular Structure:
Molecular Structure of 118-92-3 (2-Aminobenzoic acid)
Formula: C7H7NO2
Molecular Weight: 137.138
Synonyms: Vitamin L;2-Carboxyaniline;o-Anthranilic acid;BE2;Benzoic acid,2-amino-;1-Amino-2-carboxybenzene;Carboxyaniline;o-aminobenzoic acid;2-Carboxyphenylamine;Benzoic acid, 2-amino-;o-Carboxyaniline;NCI-C01730;2-aminobenzoate;2-aminobenzoic acid;alpha-Aminobenzoic acid;anthranilic acid;2-aminobenzoic acid;
EINECS: 204-287-5
Density: 1.412 g/cm3
Melting Point: 146 - 148 °C
Boiling Point: 311.9 °C at 760 mmHg
Flash Point: 142.4 °C
Solubility: 5.7 g/L (25 °C) in water
Appearance: White to off white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36-37-36/37/38
Safety: 26-36-39
Transport Information: 25kgs
PSA: 63.32000
LogP: 1.54820
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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 (1978),p. 265.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (feed): No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-TR-36,78 ,1978. . Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Anthranilic acid is 2-aminobenzoic acid. With the CAS registry number 118-92-3, it is also named as 1-Amino-2-carboxybenzene; 2-Carboxyaniline; 4-27-00-07875 (Beilstein Handbook Reference); AI3-02408; Benzoic acid, o-amino-; Kyselina anthranilova; Vitamin L; ortho-Aminobenzoic acid. The product's categories are aromatic carboxylic acids, amides, anilides, anhydrides & salts, pharmacetical and organic acids.

The Anthranilic acid is white to off white crystalline powder with a sweetish taste which is soluble in hot water, ethanol and ether. It may be sensitive to prolonged exposure to air and light. In addition, it is stable and incompatible with strong oxidizing agents. This product can be used as intermediates of dye, medicine and perfume. It is also used as complexometric reagent and laboratory reagent. Anthranilic acid is biosynthesized from chorismic acid. It is the precursor to the amino acid tryptophan via the attachment of phosphoribosyl pyrophosphate to the amine group.

The Anthranilic acid  is highly toxic. It is flammable and will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

The other characteristics of Anthranilic acid can be summarized as: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 37.41 cm3; (14)Molar Volume: 104.2 cm3; (15)Polarizability: 14.83×10-24 cm3; (16)Surface Tension: 64.3 dyne/cm; (17)Enthalpy of Vaporization: 58.37 kJ/mol; (18)Vapour Pressure: 0.000234 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 137.047678; (22)MonoIsotopic Mass: 137.047678; (23)Topological Polar Surface Area: 63.3; (24)Heavy Atom Count: 10.

People can use the following data to convert to the molecule structure. 
(1)SMILES: O=C(O)c1ccccc1N;
(2)InChI: InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10);
(3)InChIKey: RWZYAGGXGHYGMB-UHFFFAOYAS;

The following is the toxicity data of Anthranilic acid:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mammal (species unspecified) LD50 unreported 6310mg/kg (6310mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(6), Pg. 22, 1983.
mouse LD50 intraperitoneal 2500mg/kg (2500mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 105, 1974.
mouse LD50 intravenous > 500mg/kg (500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1392, 1990.
mouse LD50 oral 1400mg/kg (1400mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat LD50 oral 5410mg/kg (5410mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983.