Leucocrystal Violet

HCID 69048
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
603-48-5
Standard SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIKey
OAZWDJGLIYNYMU-UHFFFAOYSA-N
Molecular formula
C25H31N3
Average molar mass
373.5 g/mol
Monoisotopic mass
373.251798

Names & identifiers

Preferred name
Leucocrystal Violet
IUPAC
4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
English name
Leucocrystal Violet
Molecular formula
C25H31N3
Molecular weight
373.53

Names & synonyms

Leucocrystal Violet603-48-5Leucogentian violetLeucomethyl green4,4',4''-Methylidynetris(N,N-dimethylaniline)C.I. Basic Violet 3, leuco3LBR3LR8FSTris(4-(dimethylamino)phenyl)methane4,4',4''-(Hexamethyltriamino)triphenylmethane4,4',4''-Tris(N,N-dimethylaminophenyl)methaneDTXSID3060530Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-
Show more names
LCVLEUCO CRYSTAL VIOLETLeuco4,4',4''-Methanetriyltris(N,N-dimethylaniline)PI-LCVLeucocrystalLeuco VioletGrystal Violet
NSC-7338LEUCO BASIC VIOLET 3Benzenamine, 4,4',4''-methylidynetris(N,N-dimethyl-Aniline, 4,4',4''-methylidynetris(N,N-dimethyl-Aniline, 4,4',4''-methylidynetris[N,N-dimethyl-Tris[4-(dimethylamino)phenyl]methaneRefChem:798978DTXCID1042788

Database identifiers

CAS
603-48-5
PubChem CID
69048
DTXSID
DTXSID3060530
ChEMBL
CHEMBL81595
ChEBI
CHEBI:182175
UNII
3LBR3LR8FS
EC Number
210-043-9
Nikkaji
J43.062E

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
9.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
28

Experimental & physicochemical properties

Physical DescriptionWhite to very pale lavender powder; [IARC]
Collision Cross Section216.47 Ų [M+H]+

Physicochemical properties

Melting point
175 · 175-177 °C(lit.)
Boiling point
492.75 °C · 492.75°C (rough estimate)
Density
1.1857 · 1.1857 (rough estimate)
vapor pressure
0 · 0-0Pa at 10-30℃
refractive index
1.627 · 1.6270 (estimate)
storage temp.
Amber Vial, Refrigerator

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 33.9% (56 of 165) of reports.

Warning

H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (24.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (41.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (41.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 165 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 56 of 165 reports by companies.；There are 8 notifications provided by 109 of 165 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient

Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22898

Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee Gentian Violet.
Hazard Classes and CategoriesSkin Irrit. 2 (24.2%)；Eye Irrit. 2 (24.8%)；STOT SE 3 (23.6%)；Aquatic Acute 1 (41.2%)；Aquatic Chronic 1 (41.2%)

Toxicology

Carcinogen Classification · 5 items

Leucogentian violet

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 129: (2022) Gentian Violet, Leucogentian Violet, Malachite Green, Leucomalachite Green, and CI Direct Blue 218

2022 online

2021

Regulatory information

Regulatory Information · 4 items

Chemical: Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient

Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22898

Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
32041990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

UsesUsed as a precursor of gentian violet; Also used as a chromogenic reagent for several applications; [IARC]
General Manufacturing InformationBenzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: ACTIVE

Applications

UsesA metabolite of Gentian Violet in seafood products. Dyes and metabolites, Environmental Testing

Upstream & downstream products

Suppliers100 total

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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Additional notes

DefinitionChEBI: Leucocrystal Violet is a benzenoid aromatic compound.

Related reactions

10 records
New reaction record

Compound notes

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