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Basic Information
CAS No.: 523-44-4
Name: ORANGE I
Molecular Structure:
Molecular Structure of 523-44-4 (ORANGE I)
Formula: C16H11N2NaO4S
Molecular Weight: 350.33
Synonyms: Benzenesulfonicacid, 4-[(4-hydroxy-1-naphthalenyl)azo]-, monosodium salt (9CI);C.I. Acid Orange 20 (7CI);C.I. Acid Orange 20, monosodium salt (8CI);1333 Orange;4-p-Sulfophenylazo-1-naphthol monosodium salt;A.F. Orange No. 1;Acid LeatherOrange I;Sodium 4-[(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate;4-(4-Hydroxy-1-naphthylazo)benzenesulfonic acid sodium salt;Aizen Orange I;C.I. 14600;Certiqual OrangeI;Dye orange No. 1;Eniacid Orange I;Ext D and COrange No. 3;External D and C Orange Number 3;FD and C Orange 1;FD and COrange No. 1;Hispacid Orange 1;Japan Orange 1;Japan Orange 402;Japan OrangeNo. 402;Java Orange I;Naphthalene Orange I;Naphthol Orange;Neklacid Orange1;Orange 1 sodium salt;Orange 402;Orange I;Orange I Extra Conc. A Export;Orange IM;Orange No. 402;Tertracid Orange I;Tropaeolin 1;Yellow 404;a-NaphtholOrange;
EINECS: 208-346-6
Melting Point: 260 °C (decomp)
Safety: 22-24/25
PSA: 110.53000
LogP: 4.94570
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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 Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 8 (1975),p. 173.(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) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1), with the CAS registry number 523-44-4, is also known as 4-p-Sulfophenylazo-1-naphthol monosodium salt. It belongs to the product category of Organics. Its EINECS number is 208-346-6. This chemical's molecular formula is C16H11N2NaO4S and molecular weight is 350.32. What's more, its systematic name is Sodium 4-[(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate. Its classification codes are: (1)Mutation data; (2)Tumor data. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from heat and fire. You should not breathe dust. When using it, you must avoid contact with eyes. 

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)[O-].[Na+]
(2)Std. InChI: InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
(3)Std. InChIKey: AZLXCBPKSXFMET-UHFFFAOYSA-M

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 38B, Pg. 67, 1966.