CAS 56309-59-2 2-Methyl-4-nitrophenyl isocyanate (HCID 4296456)

基本情報

CAS: 56309-59-2
標準SMILES: Cc1cc([N+](=O)[O-])ccc1N=C=O
InChIKey: FZCFUPBIPMLIPI-UHFFFAOYSA-N
分子式: C8H6N2O3
平均分子量: 178.14 g/mol
単同位体質量: 178.03784206

名称と識別子

優先名称: 2-Methyl-4-nitrophenyl isocyanate
IUPAC: 1-isocyanato-2-methyl-4-nitrobenzene
現地名: 2-メチル-4-ニトロフェニルイソシアナート
英語名: 2-Methyl-4-nitrophenyl isocyanate
分子式: C8H6N2O3
分子量: 178.14

名称と別名

2-Methyl-4-nitrophenyl isocyanate56309-59-2DTXSID40401678RefChem:263420DTXCID20352533620-898-31-isocyanato-2-methyl-4-nitrobenzene1-Isocyanato-2-methyl-4-nitro-benzene2-Methyl-4-nitrophenylisocyanateMFCD000147044-isocyanato-3-methyl-1-nitro-benzeneSCHEMBL546059

名称をさらに表示

2-メチル-4-ニトロフェニルイソシアナートイソシアン酸2-メチル-4-ニトロフェニルイソシアン酸2-メチル-4-ニトロフェニル, 98%1-イソシアナト-2-メチル-4-ニトロベンゼン2-Methyl-4-nitrophenyl isocyanate-98%Benzene, 1-isocyanato-2-methyl-4-nitro-

2-methyl-4-nitrobenzenisocyanate2-methyl4-nitrophenyl isocyanateFZCFUPBIPMLIPI-UHFFFAOYSA-NGEO-04290AKOS005207061AKOS0158890932-Methyl-4-nitrophenyl isocyanate, 98%ST50826701

データベース識別子

CAS: 56309-59-2
PubChem CID: 4296456
DTXSID: DTXSID40401678
EC Number: 620-898-3
Nikkaji: J267.365G

物性

構造計算による物性

XLogP: 2.9
極性表面積: 75.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 242

物理化学的性質

融点: 81 · 81-84 °C(lit.)
沸点: 168 °C23 · 168 °C23 mm Hg(lit.)
比重(密度): 1.4114 · 1.4114 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
闪点: 168 °C/23mm · 168°C/23mm
BRN: 2723857 · 2723857

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (11.6%): 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, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 43 reports by companies from 3 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (11.6%)；STOT SE 3 (100%)