Introduction:Basic information about CAS 2650-18-2|Acid Blue 9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acid Blue 9 |
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| CAS Number | 2650-18-2 | Molecular Weight | 782.946 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C37H42N4O9S3 | Melting Point | 283 °C (dec.)(lit.) |
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| MSDS | / | Flash Point | / |
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Names
| Name | Acid Blue 9 |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Melting Point | 283 °C (dec.)(lit.) |
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| Molecular Formula | C37H42N4O9S3 |
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| Molecular Weight | 782.946 |
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| Exact Mass | 782.211365 |
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| PSA | 202.99000 |
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| LogP | 9.02170 |
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| InChIKey | HMEKVHWROSNWPD-UHFFFAOYSA-N |
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| SMILES | CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[NH4+].[NH4+] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BQ4550000
- CHEMICAL NAME :
- Ammonium, ethyl(4-(p-(ethyl(m-sulfobenzyl)amino)-alpha-(o-sulfo phenyl)benzylidene)- 2,5-cyclohexadien-1-ylidene)(m-sulfobenzyl)-, hydroxide, inner salt, diammonium salt
- CAS REGISTRY NUMBER :
- 2650-18-2
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C37-H36-N2-O9-S3.2H3-N
- MOLECULAR WEIGHT :
- 783.01
- WISWESSER LINE NOTATION :
- L6Y DYJ AUYR BSWQ&R DN2&1R CSWQ&& DUK2&1R CSWQ &Q &ZH 2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 33 ug/kg
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 gm/kg/77W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- Unscheduled DNA synthesis
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Fibroblast
- DOSE/DURATION :
- 5 gm/L
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 22,623,1984 *** REVIEWS *** TOXICOLOGY REVIEW ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For publisher information, see ARPTDI. Volume(issue)/page/year: 14,127,1974 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2196 No. of Facilities: 811 (estimated) No. of Industries: 20 No. of Occupations: 27 No. of Employees: 17059 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2196 No. of Facilities: 2902 (estimated) No. of Industries: 26 No. of Occupations: 41 No. of Employees: 96076 (estimated) No. of Female Employees: 62671 (estimated)
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Safety Information
| Hazard Codes | Xi |
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| WGK Germany | 3 |
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| RTECS | BQ4725000 |
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Synonyms
| Diammonium 2-[(Z)-{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{(4Z)-4-[ethyl(3-sulfonatobenzyl)iminio]-2,5-cyclohexadien-1-ylidene}methyl]benzenesulfonate |
| oniumsalt |
| diammonio(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium |
| Benzenemethanaminium, N-ethyl-N-[(1Z,4Z)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, diammonium salt |
| MFCD00012141 |
| afblueno1 |
| FDC Blue #1 |
| waterblue9 |
| ci671 |
| EINECS 223-339-8 |
| AO205 |
| BLUEFCF |
| BLUE 4 |
| Food Blue 2 |