4-Bromophenyl isocyanate (HCID 75609)

名称と識別子

優先名称: 4-Bromophenyl isocyanate
IUPAC: 1-bromo-4-isocyanatobenzene
現地名: イソシアン酸4-ブロモフェニル
英語名: 4-BROMOPHENYL ISOCYANATE
分子式: C7H4BrNO
分子量: 198.02

名称と別名

4-Bromophenyl isocyanate2493-02-9p-Bromophenyl isocyanate4-Bromophenylisocyanate4-bromophenylcarbimideIsocyanic acid, p-bromophenyl esterMGR77M31ZWP-BROMOPHENYLCARBONIMIDENSC 8037NSC-8037EINECS 219-662-9UNII-MGR77M31ZW

名称をさらに表示

イソシアン酸4-ブロモフェニルイソシアン酸4‐ブロモフェニル1-ブロモ-4-イソシアナトベンゼン4-ブロモフェニルイソシアナートp-BromocarbanilBroMo-4-isocyanatobenzene4-Bromophenylisocyanate,99%1-bromo-4-isocyanato-benzen

DTXSID1062465Isocyanic acid p-bromophenyl esterP-BROMOPHENYL ISOCYANATE [MI]RefChem:98215DTXCID3037177CZQIJQFTRGDODI-UHFFFAOYSA-NIsocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)1-Bromo-4-isocyanatobenzene

データベース識別子

CAS: 2493-02-9
PubChem CID: 75609
DTXSID: DTXSID1062465
UNII: MGR77M31ZW
EC Number: 219-662-9
Nikkaji: J7.593K

物性

構造計算による物性

XLogP: 3.4
極性表面積: 29.4 Å²
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: 1
重原子数: 10
形式電荷: 0
複雑度: 146

物理化学的性質

融点: 42 · 42-44 °C(lit.)
沸点: 158 °C14 · 158 °C14 mm Hg(lit.)
比重(密度): 1.6077 · 1.6077 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 229 °F · 229 °F
貯蔵温度: Refrigerator (+4°C)
溶解性: ジエチルエーテル：非常に溶けにくい
外見: 結晶性固体
色: ホワイトからライトベージュ
水溶解度: 水にやや溶けにくい (25°C で 0.40 g/L)。
Merck: 14 · 14,1430
BRN: 508203 · 508203
InChI: 1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)N=C=O
CAS データベース: 2493 · 2493-02-9(CAS DataBase Reference)
EPAの化学物質情報: p-Bromophenyl isocyanate (2493-02-9)

化学的性質

化学的特性WHITE TO LIGHT BEIGE CRYSTALLINE SOLID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (14.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (89.4%)；Resp. Sens. 1 (14.9%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CY9035500
ridadr: 2206
hs_code: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 7-26-27-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids