HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium

HCID 16888
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2353-45-9
Standard SMILES
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1
InChIKey
VVJKKKDJADMKNM-UHFFFAOYSA-O
Molecular formula
C37H37N2O10S3+
Average molar mass
765.9 g/mol
Monoisotopic mass
765.1610339

Overview

Fast green FCF(1+) is an iminium ion that is the free acid form of Fast green FCF. It is a conjugate acid of a Fast green FCF(2-).

Names & identifiers

Preferred name
N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium
IUPAC
ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-hydroxy-2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
English name
Fast Green FCF
Molecular formula
C37H37N2NaO10S3
Molecular weight
788.88

Names & synonyms

N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminiumNSC379443SCHEMBL3699532SCHEMBL30374401CHEBI:88293DTXSID20859719NCGC00187585-01(1E,4E)-N-Ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminiumBRILLIANT BLUEBRILLIANT BLUE GGREEN 3COOMASSIE BRILLIANT BLUE G-250
Show more names
FCFFood green 3Fast Green SolutionCOOMASSIE BRILLIANT BLUE GMIDORI31724green

Database identifiers

CAS

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
215 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
52
Formal charge
1
Complexity
1,580

Experimental & physicochemical properties

Collision Cross Section260.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3020673]

Physicochemical properties

Melting point
290 °C · 290 °C (dec.) (lit.)
Boiling point
260 ℃[at · 260℃[at 101 325 Pa]
Density
0.513 · 0.513[at 20℃]
bulk density
350 kg/m3 · 350kg/m3
vapor pressure
0 Pa · 0Pa at 25℃
storage temp.
room temp
solubility
2 O: · H2O: soluble50mg/mL, clear, colorless to faintly yellow
form
Powder/Solid
Colour Index
42053 · 42053
color
Red to Red-Brown
Odor
Odorless
PH
2.7 · 2.7 (10g/l, H2O, 20℃)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F
3
wgk
3
tsca
TSCA listed
rtecs
BQ4425000
hs_code
32041900
Toxicity
LD50 orally in rats: >2 g/kg (Lu, Lavalle)
risk_code
68-40-20/21/22
Signal word
Warning
Symbol(GHS)
GHS08
hazard_code
Xn
safety_code
22-24/25-37/39-25-36/37
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H341
REACH Registrations
Inactive
Hazard Classifications
Muta. 2STOT SE 3
Precautionary statements
P201-P308+P313
Hazardous Substances Data
2353-45-9(Hazardous Substances Data)

Chemistry & industry

Applications · 5 items

DescriptionFD & C Green No. 3 is principally the inner salt disodium salt of N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl] amino]phe- nyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien- 1 -ylidene]-3-sulfobenzenemethanaminium hydroxide.The colorant is a red to brown-violet powder or collection of crystals that dissolves in water to give a solution blue-green at neutrality, green in acid, and blue-violet in base. When dissolved in concentrated sulfuric acid, it yields a brown-orange solution that turns green when diluted with water. When heated to 130° with glycerine triacetate and an excess of acetic anhydride, acety- lation of its phenolic hydroxyl group causes a color change from green to light blue.Fast Green FCF is regularly used in beverages, desserts (puddings, ice cream, sherbet), candy, bakery goods, dairy products, and maraschino cherries. The color is also used in pharmaceuticals, cosmetics and histological stains.1 .

UsesStain for showing collagen, muscle, cytoplasm and cells in mammalian tissuesFast Green FCF is used as a quantitative stain for histones and protein stain in electrophoresis. It is also used as a food dye, which is poorly absorbed by intestine. It is used for tinned green peas and other vegetables, jellies, sauces, fish and desserts. It is considered as a replacement of Light Green SF yellowish in Masson's trichrome. Further, it is utilized in tissue stain.

UsesFast Green FCF is a colorant. It has good ph stability, showing after 1 week a slight fade at ph 3, a very slight fade at ph 5 to 7, and slight fade and appreciably bluer color at ph 8. It has excellent solubility in water with a solubility of 20 g in 100 ml at 25°c. It has fair to good stability to light, poor stability to oxidation, and shows no appreciable change in 10% sugar systems. It has a bluish-green hue, with excellent tinctorial strength. It has good compatibility with food components and is occasionally used in cereals, soft drinks, beverages, and desserts.

UsesBiological stain. Color additive in food, drugs and cosmetics.

General DescriptionFast Green FCF is one of the triarylmethane dyes, that is biocompatible. This triphenylmethane color additive is mainly used in coloring food, drugs and cosmetics.

Upstream & downstream products

Upstream raw materials

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
2353-45-9
PubChem CID
16888
DTXSID
DTXSID20859719
ChEBI
CHEBI:88293
Nikkaji
J1.594.279G、J1.879.275C
Water Solubility
Soluble in water, glycerin, glycol and ethanol.
Sensitive
Hygroscopic
Decomposition
290 °C · 290 °C
λmax
532 nm · 532 nm
Merck
14 · 14,3941
BRN
5718212 · 5718212
Stability
Stable. Incompatible with strong oxidizing agents.
Biological Applications
Drug delivery and tissue engineering; photodynamic therapy; dental materials; treating cancer,diabetes; wound dressing materials
Major Application
cleaning productscosmeticsfood and beveragespersonal care
Cosmetics Ingredients Functions
COLORANTHAIR DYEING
InChIKey
RZSYLLSAWYUBPE-UHFFFAOYSA-L
SMILES
[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c2ccc(cc2)C(=C3/C=CC(\C=C3)=[N+](\CC)Cc4cccc(c4)S([O-])(=O)=O)\c5ccc(O)cc5S([O-])(=O)=O
LogP
-5.42 at · -5.42 at 25℃
Substances Added to Food (formerly EAFUS)
3 · FD&C GREEN NO. 3
FDA 21 CFR
74.1203 · 74.1203; 74.203; 74.2203;82.203
EWG's Food Scores
1 · 1-3
FDA UNII
3 · FD&C GREEN NO. 3 (3P3ONR6O1S)FAST GREEN (9J3VQ0Y6BV)
IARC
3 · 3 (Vol. 16, Sup 7) 1987
EPA Substance Registry System
3 · C.I. Food Green 3, disodium salt (2353-45-9)
UNSPSC Code
85151701 · 85151701
NACRES
83 · NA.83
Symbol(GHS)
8 · GHS08
Signal word
Warning
Hazard statements
341 · H341
Precautionary statements
201 · P201-P308+P313
target organs
Respiratory system
Hazard Codes
Xn
Risk Statements
68 · 68-40-20/21/22
Safety Statements
22 · 22-24/25-37/39-25-36/37
WGK Germany
3 · 3
RTECS
4425000 · BQ4425000
F
3 · 3
TSCA
TSCA listed
HS Code
32041900 · 32041900
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 STOT · Muta. 2STOT SE 3
Hazardous Substances Data
2353 · 2353-45-9(Hazardous Substances Data)
Toxicity
50 orally · LD50 orally in rats: >2 g/kg (Lu, Lavalle)
REACH Registrations
Inactive
Sodium dichromate dihydrateN-Benzyl-N-ethylanilineDichromate, Ion chromatography standard solution, Specpure, Cr2O7ˉ2 1000μg/ml4-Hydroxybenzaldehyde2-Formyl-5-hydroxybenzenesulfonic acidN-Ethyl-N-benzylaniline-3'-sulfonic acid

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
伊势久(江苏连云港)生物科技有限责任公司18082049515 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
北京诺其雅盛生物科技有限公司4000-819-385 010-62329685 13718666987
九鼎化学(上海)科技有限公司4009209199 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Additional notes · 1 item

DefinitionChEBI: An organic sodium salt having 2-{(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}-5-hydroxybenzene-1-sulfonate as the counterion. Used as a substitute for Light green SF yellow sh in Masson's trichrome as it is less likely to fade, and is more brilliant in colour. Also used as a food colouring agent.