基本情報
- 標準SMILES
c1ccc2c(c1)Oc1ccccc1S2- InChIKey
GJSGGHOYGKMUPT-UHFFFAOYSA-N- 分子式
- C12H8OS
- 平均分子量
- 200.26 g/mol
- 単同位体質量
- 200.02958588
概要
Yellowish-white solid. (NTP, 1992)
名称と識別子
- 優先名称
- Phenoxathiin
- IUPAC
- phenoxathiine
- 現地名
- フェノキサチイン
- 英語名
- PHENOXATHIIN
- 分子式
- C12H8OS
- 分子量
- 200.26
名称と別名
名称をさらに表示
データベース識別子
- CAS
262-20-4- PubChem CID
- 9217
- DTXSID
DTXSID4024937- ChEMBL
CHEMBL82492- UNII
- BJC51V8XW8
- EC Number
- 205-975-8
- Nikkaji
- J5.445C
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 34.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 186
実験および物理化学的性質
物理化学的性質
- 融点
- 52 · 52-56 °C(lit.)
- 沸点
- 150 · 150-152 °C5 mm Hg(lit.)
- 比重(密度)
- 1.278 · 1.278
- 屈折率
- 1.609 · 1.6090 (estimate)
- 闪点
- 150 · 150-152°C/5mm
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- powder to crystal
- 色
- MeOH からのプレート
- BRN
- 143232 · 143232
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
- InChIKey
- GJSGGHOYGKMUPT-UHFFFAOYSA-N
- SMILES
- C1=C2C(OC3=C(S2)C=CC=C3)=CC=C1
- CAS データベース
- 262 · 262-20-4(CAS DataBase Reference)
- EPAの化学物質情報
- Phenoxathiin (262-20-4)
化学的性質
化学的特性light yellow solid
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phenoxathiin
Phenoxathiin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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: You should dampen the solid spill material with acetone, then 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 adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate 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)
安全データ
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SP6825000
- 毒性
- LD50 ipr-mus: 200 mg/kg NTIS** AD277-689
- hs_code
- 29349990
- risk_code
- 36/37/38
- safety_code
- 24/25
化学と産業
用途と製造
応用分野
一般的な説明Yellowish-white solid.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
読み込み中…