基本信息
- 标准SMILES
Cc1cccc([N+](=O)[O-])c1N- InChIKey
FCMRHMPITHLLLA-UHFFFAOYSA-N- 分子式
- C7H8N2O2
- 平均分子量
- 152.15 g/mol
- 单同位素质量
- 152.0585775
概述
2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)
名称与标识
- 首选名称
- 2-Methyl-6-nitroaniline
- IUPAC
- 2-methyl-6-nitroaniline
- 中文名
- 2-甲基-6-硝基苯胺
- 英文名
- 2-Methyl-6-nitroaniline
- 分子式
- C7H8N2O2
- 分子量
- 152.15
名称与别名
展开更多名称
数据库标识
- CAS
570-24-1、60999-18-0- PubChem CID
- 11298
- DTXSID
DTXSID7025631- UNII
- OUP165YKBC
- EC Number
- 209-329-6
- Nikkaji
- J28.416E
性质
结构计算性质
- XLogP
- 2
- 极性表面积
- 71.8 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 155
实验与物化性质
Physical Description
2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)
Orange-yellow or brown solid; [CAMEO] Dark red solid; [EC: SCCNFP] Dark red crystalline solid; [Sigma-Aldrich MSDS]
物理化学性质
- 熔点
- 93 · 93-96 °C (lit.)
- 沸点
- 124 °C · 124 °C / 1mmHg
- 密度
- 1.19 g/cm3 · 1.19 g/cm3
- 折射率
- 1.6276 · 1.6276 (estimate)
- 闪点
- 110 °C · 110 °C
- 储存条件
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解度
- 1 mg/l · <1mg/l
- 形态
- Crystalline Powder
- 酸度系数(pKa)
- -0.44 · -0.44±0.25(Predicted)
- 颜色
- Brownish
- 水溶解性
- 0.1 g/100 · <0.1 g/100 mL at 23 ºC
- BRN
- 1868029 · 1868029
- Henry's Law Constant
- 4.6 · 4.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- 化妆品成分功效
- HAIR DYEING
- InChI
- 1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
- InChIKey
- FCMRHMPITHLLLA-UHFFFAOYSA-N
- SMILES
- Cc1cccc(c1N)[N+]([O-])=O
- CAS 数据库
- 570 · 570-24-1(CAS DataBase Reference)
- NIST化学物质信息
- 2 · 2-Methyl-6-nitroaniline(570-24-1)
- EPA化学物质信息
- 2 · 2-Methyl-6-nitroaniline (570-24-1)
化学性质
橙色或黄色棱柱状结晶。熔点97℃。溶于醇、醚、苯和氯仿,微溶于水。
安全与法规
GHS分类
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
危害信息
Regulatory Information
Chemical: Benzenamine, 2-methyl-6-nitro-
Status: No longer Valid Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24595
6-Nitro-o-toluidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant in rabbits at 3% concentration in 1,2-propanediol; No evidence of skin sensitization in guinea pigs; Hepatotoxicity observed in 28-day oral studies of rats; No evidence of embryotoxicity or teratogenicity in rats; [EC: SCCNFP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; Targets the blood; [Sigma-Aldrich MSDS] See 2-Nitroaniline.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)
毒理信息
安全数据
- F
- 10
- wgk
- 3
- hazard_note
- Toxic
- 包装类别
- Ⅲ
- 危险等级
- IRRITANT
- 存储类别
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 安全说明
- 28-36/37-45-61-28A
- 海关编码
- 29214300
- 危险品标志
- T,N,Xi
- 危险性类别
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
- 危险类别码
- 23/24/25-33-51/53
- 危险品运输编号
- UN 2660 6.1/PG 3
化学与工业
用途与制造
Uses
Used in semi-permanent hair dyes; [EC: SCCNFP]
Dressing Hair [Category: Other]
应用领域
用途2-甲基-6-硝基苯胺是一种用于有机合成的化合物。染料和代谢物,环境测试。
制备方法
生产方法邻甲基乙酰苯胺用70%硝酸硝化得到的硝基邻甲基乙酰苯胺,与浓盐酸一起加热至沸,反应产物进行水蒸气蒸馏,得到6-硝基邻甲苯胺,收率约50%。
上下游产品信息
上游原料
下游产品
试剂价格
- XW010363 · 50G
- 2-甲基-6-硝基苯胺2-methyl-6-nitroaniline;6-nitro-o-toluidine;2-amino-3-nitrotoluene — 98元
- N0467 · 25G
- 2-甲基-6-硝基苯胺2-Methyl-6-nitroaniline — 675元
供应商50 家
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