uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264708
查看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
- 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
Physical Description
White to very pale lavender powder; [IARC]
Collision Cross Section
216.47 Ų [M+H]+
GHS
GHS分类
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
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
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
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
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
REACTIONS
参与反应
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