基本信息
- 标准SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- 分子式
- C7H9NO
- 平均分子量
- 123.15 g/mol
- 单同位素质量
- 123.06841391
概述
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
名称与标识
- 首选名称
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- 中文名
- 邻氨基对甲苯酚
- 英文名
- 2-Amino-p-cresol
- 分子式
- C7H9NO
- 分子量
- 123.15
名称与别名
展开更多名称
数据库标识
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
性质
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 46.3 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 94.9
实验与物化性质
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
物理化学性质
- 熔点
- 133 · 133-136 °C(lit.)
- 沸点
- 229.26 °C · 229.26°C (rough estimate)
- 密度
- 1.0877 · 1.0877 (rough estimate)
- 折射率
- 1.5706 · 1.5706 (estimate)
- 储存条件
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解度
- slightly soluble
- 酸度系数(pKa)
- 10.06 · 10.06±0.18(Predicted)
- 形态
- Flakes or Crystalline Powder
- 颜色
- Beige to gray-brown
- 水溶解性
- slightly soluble
- BRN
- 606494 · 606494
- InChI
- InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
- InChIKey
- ZMXYNJXDULEQCK-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C)C=C1N
- CAS 数据库
- 95 · 95-84-1(CAS DataBase Reference)
- EPA化学物质信息
- 2 · 2-Amino-p-cresol (95-84-1)
化学性质
外观为灰白晶体。 易溶于乙醇、乙醚、氯仿等有机溶剂。稍溶于水、苯。在热水中易溶。
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
Regulatory Information
Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
安全与防护
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全数据
- wgk
- 2
- tsca
- TSCA listed
- RTECS号
- SJ6078000
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26-36-37/39
- 海关编码
- 29222900
- 危险品标志
- Xi
- 危险类别码
- 36/37/38
毒性防护
急性毒性参考值: 腹腔-小鼠LD50: 680 毫克/公斤
包装储运
可燃性危险特性可燃;燃烧产生有毒氮氧化物烟雾
储运特性库房通风低温干燥
灭火剂干粉、泡沫、砂土、二氧化碳, 雾状水
化学与工业
用途与制造
应用领域
用途用作染料中间体,也用于制取荧光增白剂
用途染料中间体,用于荧光增白剂DT等生产。
制备方法
生产方法邻硝基对甲苯酚用硫化碱或催化加氢还原而得。从对甲苯酚硝化出发原料消耗定额:对甲苯酚工业品963kg/t、硝酸(96%)661kg/t、硫酸(92.5%)2127kg/t、硫化碱(60%)2425kg/t、纯碱20kg/t。
上下游产品信息
上游原料
下游产品
试剂价格
- A19546 · 250g
- 2-氨基-4-甲基苯酚, 98% 2-Amino-4-methylphenol, 98% — 689元
- 16321 · 50g
- 2-氨基对甲酚2-Amino-p-cresol, 97%, Thermo Scientific Chemicals — 292元
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