Leucocrystal Violet 分子结构式
HCID69048

Leucocrystal Violet

4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C25H31N3373.5 g/molCAS 603-48-5

IDENTITY

结构与身份

标准SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIKey
OAZWDJGLIYNYMU-UHFFFAOYSA-N
分子式
C25H31N3
平均分子量
373.5 g/mol
单同位素质量
373.251798

COMPUTED

结构计算性质

已同步
XLogP
5.7
极性表面积
9.7 Ų
氢键供体
0
氢键受体
3
可旋转键
6
重原子
28
形式电荷
0
复杂度
370

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

White to very pale lavender powder; [IARC]

Collision Cross Section

216.47 Ų [M+H]+

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Summary

See Gentian Violet.

Hazard Classes and Categories

Skin Irrit. 2 (24.2%);Eye Irrit. 2 (24.8%);STOT SE 3 (23.6%);Aquatic Acute 1 (41.2%);Aquatic Chronic 1 (41.2%)

TOXICITY

毒理信息

来源:PubChem
Carcinogen Classification

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

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
Uses

Used as a precursor of gentian violet; Also used as a chromogenic reagent for several applications; [IARC]

General Manufacturing Information

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

ALIASES

名称与别名

共 89 条
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-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

REACTIONS

参与反应

10
HRID 444585 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264708

查看
HRID 444586 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264708

查看
HRID 444587 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264708

查看
HRID 444588 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264708

查看
HRID 481273 反应方程式

uspto-grants-1998_08 · 10.6084/m9.figshare.5104873.v1 · US05789135

查看
HRID 1249603 反应方程式

uspto-grants-1986_12 · 10.6084/m9.figshare.5104873.v1 · US04632987

查看
HRID 1660531 反应方程式

uspto-grants-1981_12 · 10.6084/m9.figshare.5104873.v1 · US04308338

查看
HRID 1660532 反应方程式

uspto-grants-1981_12 · 10.6084/m9.figshare.5104873.v1 · US04308338

查看