基本情報
- 標準SMILES
ICc1ccccc1- InChIKey
XJTQJERLRPWUGL-UHFFFAOYSA-N- 分子式
- C7H7I
- 平均分子量
- 218.03 g/mol
- 単同位体質量
- 217.95924822
概要
Low-melting crystals or a colorless liquid. Melting point 34.1 °C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
名称と識別子
- 優先名称
- Benzyl iodide
- IUPAC
- iodomethylbenzene
- 現地名
- α-ヨードトルエン
- 英語名
- BENZYL IODIDE
- 分子式
- C7H7I
- 分子量
- 218.04
名称と別名
名称をさらに表示
データベース識別子
- CAS
620-05-3- PubChem CID
- 12098
- DTXSID
DTXSID6060715- UNII
- 859JV557EV
- EC Number
- 210-623-1
- Nikkaji
- J7.045I
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 55.4
実験および物理化学的性質
Physical Description
Low-melting crystals or a colorless liquid. Melting point 34.1 °C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
Low-melting solid or colorless liquid; [CAMEO]
物理化学的性質
- 融点
- 280 · 280-282℃
- 沸点
- 218 ℃ · 218℃
- 比重(密度)
- 1.75 · 1.750
- 屈折率
- 1.633 · 1.6330
- 闪点
- 98 ℃ · 98℃
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Dielectric constant
- 6.1 · 6.1(20℃)
- InChI
- InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- XJTQJERLRPWUGL-UHFFFAOYSA-N
- SMILES
- C1(CI)=CC=CC=C1
- CAS データベース
- 620 · 620-05-3
- EPAの化学物質情報
- Benzene, (iodomethyl)- (620-05-3)
化学的性質
化学的特性Colorless crystals or liquid. Soluble in alcohol, carbon disulfide, ether; insoluble in water.
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
DOT Hazard Classification
Benzyl iodide
UN2653
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
安全データ
- tsca
- TSCA listed
- ridadr
- UN 2653
- hs_code
- 29039990
- hazard_class
- 6.1
- packing_group
- II
化学と産業
用途と製造
応用分野
使用A tear gas.
一般的な説明Low-melting crystals or a colorless liquid. Melting point 34.1°C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
上流・下流製品情報
下流製品
サプライヤー50 社
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