基本情報
- 標準SMILES
CCOc1cccc(N)c1- InChIKey
WEZAHYDFZNTGKE-UHFFFAOYSA-N- 分子式
- C8H11NO
- 平均分子量
- 137.18 g/mol
- 単同位体質量
- 137.08406397
概要
M-phenetidine is a dark red liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Ethoxyaniline
- IUPAC
- 3-ethoxyaniline
- 現地名
- m-エトキシアニリン
- 英語名
- 3-Ethoxyaniline
- 分子式
- C8H11NO
- 分子量
- 137.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
621-33-0- PubChem CID
- 12120
- DTXSID
DTXSID0025862- ChEMBL
CHEMBL1466168- UNII
- XE9KKL972R
- EC Number
- 210-680-2
- Nikkaji
- J101.236C
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 35.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 95.3
実験および物理化学的性質
Physical Description
M-phenetidine is a dark red liquid. (NTP, 1992)
Dark red liquid; [CAMEO] Clear light brown viscous liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 204 °C · 204 °C
- 沸点
- 248 °C · 248 °C(lit.)
- 比重(密度)
- 1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.566(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- Chloroform, Methanol (Slightly)
- 外見
- 液体
- 酸解離定数(Pka)
- 4.18 · 4.18(at 25℃)
- 色
- クリアブラウン
- 水溶解度
- 20 ℃で0.1~0.5g/100mL · 20℃で0.1~0.5g/100mL
- BRN
- 971028 · 971028
- 安定性
- 安定。可燃性。強力な酸化剤、酸、酸塩化物、酸無水物とは相容れない。光や空気に長時間さらされると敏感。
- InChI
- 1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
- InChIKey
- WEZAHYDFZNTGKE-UHFFFAOYSA-N
- SMILES
- CCOc1cccc(N)c1
- CAS データベース
- 621 · 621-33-0(CAS DataBase Reference)
- NISTの化学物質情報
- 3 · 3-Ethoxyaniline(621-33-0)
- EPAの化学物質情報
- m-Ethoxyaniline (621-33-0)
化学的性質
化学的特性light yellow to dark red liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 48.7% (37 of 76) of reports.
Danger
H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Reactivity Profile
M-PHENETIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 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)
毒性情報
安全データ
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SI5400000
- ridadr
- UN 2311 6.1/PG 3
- 毒性
- mma-sat 1 mg/plate EMMUEG 11(Suppl12),1,88
- hs_code
- 29222200
- risk_code
- 23/24/25-33
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 28-36/37/39-45-36/37-28A
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
応用分野
使用3-Ethoxyaniline was used as starting reagent in the synthesis of 1,2,3,4-tetrahydroacridinylhydrazides.
一般的な説明Dark red liquid.
上流・下流製品情報
上流原料
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