Solvent Violet 13

HCID 6680
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基本情報

CAS
12217-81-1
標準SMILES
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1
InChIKey
LJFWQNJLLOFIJK-UHFFFAOYSA-N
分子式
C21H15NO3
平均分子量
329.3 g/mol
単同位体質量
329.10519334

名称と識別子

優先名称
Solvent Violet 13
IUPAC
1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione
英語名
Disperse Blue 72
分子式
C21H15NO3
分子量
329.3487

名称と別名

Solvent violet 1381-48-1ALIZUROL PURPLED&C Violet 2D&C Violet No. 21-Hydroxy-4-(p-toluidino)anthraquinoneCI Disperse Blue 72CI Solvent Violet 13Duranol Brilliant Violet 7G12217-81-1D & C Violet no. 2CCRIS 7073
名称をさらに表示
Blue 6Rdisperse blue 72C.I.Disperse Blue 72:C.I.60725DISPERSE BLUE 72 ISO 9001：2015 REACHDisperse Blue 72 Crude for Sublimation Ink1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone
DTXSID1026293HSDB 19589,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-EINECS 201-353-5SANDOPLAST VIOLET RSBUNII-350KA7O6HKBRN 2163109AI3-16428

データベース識別子

CAS
12217-81-1、81-48-1
PubChem CID
6680
DTXSID
DTXSID1026293
ChEMBL
CHEMBL3181893
UNII
350KA7O6HK
EC Number
201-353-5、601-910-6
Nikkaji
J11.611D

物性

構造計算による物性

XLogP
5.5
極性表面積
66.4 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
2
重原子数
25

実験および物理化学的性質

Chemical ClassesDyes -> Anthraquinone Dyes
CosmeticsHair dyeing; Cosmetic colorant
FragrancesFragrance Ingredient (9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-) -> IFRA transparency List
LogP3.12
Food AdditivesDrugs, Cosmetics, Devices -> FDA Regulatory Status of Color Additives
Food Contact Substances · 3 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

物理化学的性質

InChI
InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey
LJFWQNJLLOFIJK-UHFFFAOYSA-N
SMILES
C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(NC2=CC=C(C)C=C2)C=C1

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 86.3% (2348 of 2720) of all reports.

Warning

H317 (13.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2720 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

危険有害性情報

Regulatory Information · 4 件

Chemical: 9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-

9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 1-hydroxy-4-(p-toluidino)anthraquinone (EC: 201-353-5)

1-Hydroxy-4-(p-toluidino)anthraquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAnthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] May cause irritation; [MSDSonline]
FDA RequirementsD & C VIOLET NUMBER 2 IS PERMANENTLY LISTED UNDER FEDERAL FOOD, DRUG, & COSMETIC ACT FOR USE IN EXTERNALLY APPLIED DRUGS & COSMETICS.
Hazard Classes and Categories · 2 件

Skin Sens. 1 (13.6%)

Not Classified

安全と保護具

Fire Fighting ProceduresWATER, FOAM, CARBON DIOXIDE, WATER SPRAY OR MIST, DRY CHEMICAL...

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Human Toxicity Excerpts · 5 件

CAUTION: LOW SYSTEMIC TOXICITY, BUT MAY CAUSE SKIN IRRITATION, SENSITIZATION. /ANTHRAQUINONE/

/RED URINE COLORATION IS A SYMPTOM OF ANTHRAQUINONE DYE POISONING./ /ANTHRAQUINONE DYES/

...DYES IN GENERAL HAVE LITTLE IRRITANT EFFECT. /DYES & DYESTUFFS/

SECONDARY IRRITANTS ARE THOSE COMPD THAT HAVE IRRITANT ACTION ON MUCOUS MEMBRANES...MORE SIGNIFICANT SYSTEMIC EFFECT RESULTING FROM ABSORPTION OF COMPD. EXAMPLES OF SECONDARY IRRITANTS ARE...MANY OF THE AROMATIC HYDROCARBONS... /AROMATIC HYDROCARBONS/

EXCEPT FOR REPORTS OF ALLERGIC REACTIONS IN HUMANS, NO TOXICITY DATA WERE LOCATED. /1,2-DIHYDROXYANTHRAQUINONE/

Non-Human Toxicity ExcerptsANTHRAQUINONE...HAS BEEN NOTED ONLY IN EXPTL ANIMAL EYES TO CAUSE IRRITATION & INFLAMMATION WHEN APPLIED TO THE EYE. ...IT IS POSSIBLE THAT IRRITATION IS DUE TO MECH ACTION OF POWDER RATHER THAN TO TOXIC EFFECT... /ANTHRAQUINONE/
Probable Routes of Human Exposure · 2 件

IN GENERAL, DYES & PIGMENTS DO NOT PRESENT SERIOUS TOXIC HAZARDS TO WORKMEN IN CONDITIONS OF INDUSTRIAL EXPOSURE. HAZARDS OF DYESTUFFS MFR ARISE LARGELY FROM THE PRIMARY & INTERMEDIATE COMPD, & FROM REAGENTS...& SOLVENTS USED IN SYNTHESIS. /DYES & DYESTUFFS/

PROBABLY GREATEST PROBLEM IN WORKMEN HANDLING DYES IS...SUPERFICIAL LAYERS OF SKIN BECOME DYED. ...SODIUM HYPOCHLORITE...BLEACHES DYED SKIN. HYPOCHLORITE IS...POWERFUL IRRITANT... IT MUST BE...WASHED OFF WITH WATER...TRACES NEUTRALIZED WITH SODIUM BISULFITE SOLN. /DYES & DYESTUFFS/

法規制情報

FDA RequirementsD & C VIOLET NUMBER 2 IS PERMANENTLY LISTED UNDER FEDERAL FOOD, DRUG, & COSMETIC ACT FOR USE IN EXTERNALLY APPLIED DRUGS & COSMETICS.

化学と産業

用途と製造

Uses · 4 件

Used as a dye in cosmetics (hair and skin care products), plastics and resins (e.g., styrene), synthetic textile fibers, and hydrocarbon solvents and gasoline; [HSDB]

Petroleum Production and Refining [Category: Industry]

DYE FOR COSMETICS (EG, HAIR & SKIN CARE PRODUCTS); DYE FOR PLASTICS & RESINS (EG, STYRENE); DYE FOR SYNTHETIC TEXTILE FIBERS;DYE FOR HYDROCARBON SOLVENTS & GASOLINE

AS DYES IN HOME & INDUSTRY /ALIZARIN/

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) 2.50X10+5 GRAMS (PRINCPL CUSTMS DISTS)

(1979) 5.69X10+6 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 件

2023: <50,000 lb

(1977) PROBABLY GREATER THAN 6.81X10+6 GRAMS

(1979) PROBABLY GREATER THAN 6.81X10+6 GRAMS

Consumption PatternsESSENTIALLY 100% AS A DYE
Consumer UsesDye

調製方法

製造方法1,4-Dihydroxyanthracene-9,10-dione or anthracene-1,4,9,10-tetraol or 1-Bromo-4-hydroxyanthraquinone or 1-Chloro-4-hydroxyanthracene-9,10-dione and to a aniline heating.

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
潍坊筱源化工经贸有限公司15621199386 · [email protected]

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