基本情報
- 標準SMILES
Cc1ccc(O)cc1N- InChIKey
NUNAWQZKZVVELQ-UHFFFAOYSA-N- 分子式
- C7H9NO
- 平均分子量
- 123.15 g/mol
- 単同位体質量
- 123.06841391
概要
Crystals. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Amino-p-cresol
- IUPAC
- 3-amino-4-methylphenol
- 現地名
- 3-アミノ-4-メチルフェノール
- 英語名
- 3-Amino-4-methylphenol
- 分子式
- C7H9NO
- 分子量
- 123.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
2836-00-2- PubChem CID
- 17820
- DTXSID
DTXSID3074860- EC Number
- 220-622-8
- Nikkaji
- J13.737E
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 94.9
実験および物理化学的性質
Physical Description
Crystals. (NTP, 1992)
Solid; [CAMEO]
物理化学的性質
- 融点
- 156 · 156-157°C
- 沸点
- 229.26 °C · 229.26°C (rough estimate)
- 比重(密度)
- 1.0877 · 1.0877 (rough estimate)
- 屈折率
- 1.5706 · 1.5706 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 10.32 · 10.32±0.18(Predicted)
- 色
- Light yellow to Brown to Dark green
- CAS データベース
- 2836 · 2836-00-2(CAS DataBase Reference)
- EPAの化学物質情報
- 3 · 3-Amino-4-methylphenol (2836-00-2)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全と保護具
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.
安全データ
- hs_code
- 2922290090
- 化審法
- (3)-707
- hazard_code
- Xi
- hazard_note
- Irritant
化学と産業
用途と製造
応用分野
一般的な説明Crystals.
上流・下流製品情報
上流原料
下流製品
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