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인디고

Indigo

HCID 10215
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
482-89-3
표준 SMILES
O=C1C(c2[nH]c3ccccc3c2O)=Nc2ccccc21
InChIKey
COHYTHOBJLSHDF-BUHFOSPRSA-N
분자식
C16H10N2O2
평균 분자량
262.26 g/mol
단동위원소 질량
262.07422757

개요

Indigo dye is a member of hydroxyindoles.

이름 및 식별자

우선 이름
Indigo
IUPAC
2-(3-hydroxy-1H-indol-2-yl)indol-3-one
현지명
인디고
영어명
Indigo
분자식
C16H10N2O2
분자량
262.26

이름 및 동의어

INDIGO482-89-3IndigotinIndigo BlueVat blue 1CystocevaDiindogenIndigo (synthetic)Vulcafix Blue RIndigo Pure BASFIndigo CibaIndigo Synthetic
이름 더 보기
인디고3H-인돌-3-온,2-(1,3-다이하이드로-3-옥소-2H-인돌-2-일리덴)-1,2-다이하이드로-(인디고블루)청색201호3H-인돌-3-온, 2-(1,3-다이하이드로-3-옥소-2H-인돌-2-일리덴)-1,2-다이하이드로-(인디고 블루)C.I. Vat BlueD & C Blue No. 6인디고 블루(2,2’-biindoline)-3,3’-dioneCI 73000C.I, vat blue 1C.I. pigment blue 66delta(sup2,2’)-bipseudoindoxyl
Synthetic IndigoIndigo Powder WVulcafor Blue AIndigo JIndigo NIndigo PVynamon Blue AIndigo VS

데이터베이스 식별자

CAS
482-89-3、64784-13-0、68651-46-7
PubChem CID
10215
DTXSID
DTXSID3026279
ChEMBL
CHEMBL35479
ChEBI
CHEBI:177687

물성

구조 계산 물성

XLogP
2.7
극성 표면적
65.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
20
형식 전하
0
복잡도
448

실험 및 물리화학적 성질

Chemical ClassesDye
CosmeticsCosmetic colorant
SpringerMaterials PropertiesBoiling point
LogP2.63

물리화학적 성질

녹는점
300 °C · >300 °C(lit.)
끓는 점
405.51 °C · 405.51°C (rough estimate)
밀도
1.01 g/mL · 1.01 g/mL at 20 °C
증기압
0 Pa · 0Pa at 100℃
굴절률
1.58 · 1.5800 (estimate)
인화점
220 ℃ · >220℃
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(소량으로 용해, 난방, 초음파 처리), DMF(약간 용해됨)
물리적 상태
가루
산도 계수 (pKa)
-3.83 · -3.83±0.20(Predicted)
색상
진한 파란색에서 보라색까지
수용성
0.1 g/100mL · <0.1g/100mL
Merck

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.2% (11 of 176) of reports.

Warning

H373 (90.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P319, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 176 reports by companies from 13 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-

REACH registered substance: 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one (EC: 207-586-9)

Hazard Classes and CategoriesSTOT RE 2 (90.9%)

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
DU2988400
ridadr
UN 3264 8/PG 3
독성
LD50 oral in mouse: > 32gm/kg
HS 번호
32041510
risk_code
36/38-36/37/38-48/20/21/22
hazard_code
Xi,Xn
safety_code
26-36
기존화학 물질
KE-08786
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
482-89-3(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Cosmetic colorant
General Manufacturing Information3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-: ACTIVE
응용 분야 · 5건

개요Indigo, known chemically as indigotin, is a common blue dye that has been highly valued throughout history and has played a major role in trade and commerce since ancient times. The term indigo is often used to describe many blue dyes produced from a number of plants. For example, woad, a blue dye obtained from the plant Isatis tinctoria, was used throughout the Mediterannean and Europe and is often identified as indigo. True indigo comes from the leguminous plant of the genus Indigofera. The Indigofera genus includes several hundred species, and indigo has been obtained from a number of these, but the dominant species for the dye are Indigofera tinctoria grown mainly in India and tropical Asia and Indigofera suff ructiosa from the tropical Americas. The name indigo comes from the Greek indikon and Latin indicum meaning “dye from India.” There is evidence that indigo was used several thou sand years b.c.e. Persian rugs containing indigo color exist from several thousand years b.c.e. Textile artifacts from Egyptian tombs provide evidence of indigo’s use by royalty from as far back as 2500 b.c.e. The writings of Herodotus from approximately 450 b.c.e. mention indigo’s use in the Mediterranean area.

출처Indigo is a perennial shrub found in several regions of the world.

역사Indigotin. The blue dye of the ancient world was derived from indigo and woad. Which plant is the oldest is a matter of conjecture. That indigo was known at least four thousand years ago is evident from ancient Sanskrit writings. Cloth dyed with indigotin (CI Natural Blue; CI 75780) has been found in Egyptian tombs and in the graves of the Incas in South America. Indigo belongs to the legume family. The two most important species are Indigo tinctoria and I. suffruticosa, found in India and the Americas, respectively. The leaves of the indigo plant do not contain the dye as such, but in the form of its precursor, a glycoside known as indican.

In recent years researchers have used genetic engineering using Escherichia coli to convert tryptophan into indigo. The desire for natural organic products has also revived traditional production methods of indigo on a small scale. Indigo's dominant use is as a textile dye, but indigo-related compounds have limited use as indicators and in food coloring.the Food and Drug Administration's FD&C Blue #2 contains indigotine (also known as indigo carmine), which is a sulfonated sodium salt of indigo.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
UNII
1G5BK41P4F
EC Number
207-586-9
Nikkaji
J1.210.939C、J2.292.935F、J3.724.732D、J5.983H
14 · 14,4943
BRN
88275 · 88275
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용
진단 검사 제조혈액학조직학
화장품 원료 기능
색소
InChI
1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
InChIKey
COHYTHOBJLSHDF-BUHFOSPRSA-N
SMILES
O=C1C(\Nc2ccccc12)=C3/Nc4ccccc4C3=O
LogP
2.7 at · 2.7 at 23℃
NIST
1 · c.i. Vat blue 1(482-89-3)
EPA
1 · C.I. Vat Blue 1 (482-89-3)

화학적 성질

dark violet powder

용도

일반 설명Dark blue powder with coppery luster. Occurs in isomeric forms (cis and trans). In solid state Indigo is in the trans form.

제조 방법 · 1건

생산 방법The first synthesis of indigo is attributed to Adolf von Baeyer (1835–1917), who began hisquest to synthesize indigo in 1865 but was not able to produce indigo until 1878. The syntheticproduction of indigo was first described by Baeyer and Viggo Drewson in 1882; Baeyeralso identified the structure of indigo in 1882.the Baeyer-Drewson synthesis of indigo startedwith 2-nitrobenzaldehyde and acetone proceeding through a series of steps in alkali solution.Baeyer’s work was not commercially viable, and it was not until 1897 that BASF (BadischeAnalin und Soda Fabrik) started to produce indigo commercially using a process developedby Karl von Heumann (1851–1894) that started with naphthalene. The synthetic productionof indigo spelled the end of traditional methods of indigo production. By the second decadeof the 20th century, nearly all indigo was produced synthetically.

상·하류 제품 정보

상류 원료

클로로아세트산수산화칼륨Phenyl glycine염화나트륨Disodium나트륨Food Blue 1:1Concentrated sulfuric acid아닐린수산화나트륨인디고 카르민인돌황산알루미늄수산화알루미늄분말탄산나트륨(경회)암모니아(가스)3H-Indol-3-one, 1,2,4,5,6,7-hexahydro-2-페닐이미노-3-인돌리논N-(2-Carboxyphenyl)glycine

하류 제품

Vat Blue 4B이사틴Food Blue 1:1인디고 카르민인돌Ethanone, 1-(3-hydroxy-1H-indol-2-yl)- (9CI)CIVat블루35Vat Blue 4B

추가 설명

정의indigo: A blue vat dye, C16H10N2O2.It occurs as the glucoside indican inthe leaves of plants of the genus Indigofera,from which it was formerlyextracted. It is now made synthetically.