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CAS 2650-18-2 | Acid Blue 9

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Common NameAcid Blue 9
CAS Number2650-18-2Molecular Weight782.946
Density/Boiling Point/
Molecular FormulaC37H42N4O9S3Melting Point283 °C (dec.)(lit.)
MSDS/Flash Point/

Names

NameAcid Blue 9
SynonymMore Synonyms

Chemical & Physical Properties

Melting Point283 °C (dec.)(lit.)
Molecular FormulaC37H42N4O9S3
Molecular Weight782.946
Exact Mass782.211365
PSA202.99000
LogP9.02170
InChIKeyHMEKVHWROSNWPD-UHFFFAOYSA-N
SMILESCCN(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+]

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 DATA

ACUTE 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)

Safety Information

Hazard CodesXi
WGK Germany3
RTECSBQ4725000

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

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