基本情報
- 標準SMILES
BrC(c1ccccc1)c1ccccc1- InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N- 分子式
- C13H11Br
- 平均分子量
- 247.13 g/mol
- 単同位体質量
- 246.00441245
概要
Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
名称と識別子
- 優先名称
- Bromodiphenylmethane
- IUPAC
- [bromo(phenyl)methyl]benzene
- 現地名
- α-ブロモジフェニルメタン
- 英語名
- Bromodiphenylmethane
- 分子式
- C13H11Br
- 分子量
- 247.13
名称と別名
名称をさらに表示
データベース識別子
- CAS
776-74-9- PubChem CID
- 236603
- DTXSID
DTXSID90870774- UNII
- LS6ZRZ2QNN
- EC Number
- 212-279-8
- Nikkaji
- J7.091B
物性
構造計算による物性
- XLogP
- 4.1
- 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
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 137
実験および物理化学的性質
Physical Description
Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
White solid; [CAMEO] Light brown solid with a pungent odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 35 · 35-39 °C(lit.)
- 沸点
- 184 °C20 · 184 °C20 mm Hg(lit.)
- 比重(密度)
- 0 · 0,9 g/cm3
- 屈折率
- 1.629 · 1.6290 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.45 g/リットル · 0.45g/リットル
- 外見
- powder to lump to clear liquid
- 色
- 白色からクリーム色、黄色、オレンジ色、茶色の結晶または溶融固体
- PH
- 2 · 2 (H2O, 20℃)(saturated aqueous solution)
- 水溶解度
- 不溶性
- BRN
- 638544 · 638544
- CAS データベース
- 776 · 776-74-9(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Benzene, 1,1'-(bromomethylene)bis-(776-74-9)
- EPAの化学物質情報
- 1 · Benzene, 1,1'-(bromomethylene)bis- (776-74-9)
化学的性質
化学的特性ORANGE-RED TO ORANGE-BROWN LOW MELTING SOLID
安全と法規制
GHS分類
GHS Classification
Danger
H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 20-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18890
Bromodiphenylmethane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards Summary
Decomposed by hot water evolving hydrobromic acid; Causes burns (in the presence of moisture) and lachrymation; [CAMEO] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Chlorodiphenylmethane and Diphenylmethane.
Reactivity Profile
Halogenated aliphatic compounds are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
Diphenylmethyl bromide
UN1770
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Met. Corr. 1 (16.7%)
Corrosives
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 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
毒性情報
安全データ
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PA5350000
- ridadr
- UN 1770
- hs_code
- 29036990
- risk_code
- 34-37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
化学と産業
用途と製造
応用分野
使用Benzhydryl bromide is a halogenated building block. Benzhydryl group was preferred to the commoner benzyl to protect 2-nitrophenol in the Bartoli (vinyl Grignard) synthesis of 7-hydroxyindole. Protection was by reaction with the phenol in the presence of potassium carbonate in acetone; deprotection of the indole was by hydrogenolysis.
一般的な説明Bromodiphenylmethane is a white crystalline solid. Melting point 113°F. A lachrymator. In the presence of moisture corrosive to tissue and most metals.
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