イソチオシアン酸4-ヨードフェニル

4-Iodophenylisothiocyanate

HCID 74938CAS 2059-76-9

部分構造検索類似構造を探す

基本情報

標準SMILES: S=C=Nc1ccc(I)cc1
InChIKey: SNLGBRZZFRSXHA-UHFFFAOYSA-N
分子式: C7H4INS
平均分子量: 261.08 g/mol
単同位体質量: 260.91092

名称と識別子

優先名称: 4-Iodophenylisothiocyanate
IUPAC: 1-iodo-4-isothiocyanatobenzene
現地名: イソチオシアン酸4-ヨードフェニル
英語名: 4-Iodophenyl isothiocyanate
分子式: C7H4INS
分子量: 261.08

名称と別名

2059-76-94-IodophenylisothiocyanateBENZENE, 1-IODO-4-ISOTHIOCYANATO-4-IpitcWDF6UL9NHMNSC-1292624-iodophenyl-isothiocyanateDTXSID70174601RefChem:524263DTXCID90970924-Iodophenyl isothiocyanate1-Iodo-4-isothiocyanatobenzene

名称をさらに表示

イソチオシアン酸4-ヨードフェニルイソチオシアン酸4-ヨードフェニル, 97%1-ヨード-4-イソチオシアナトベンゼン4-ヨードフェニルイソチオシアナート-IODOPHENYL ISOTHIOCYANATE4-Iodophenyl isothiocyate, 98%

1-iodo-4-isothiocyanato-benzeneMFCD00041091UNII-WDF6UL9NHMNSC 129262p-iodophenyl-isothiocya4-iodobenzenisothiocyanatep-iodophenyl-isothiocyanateSCHEMBL444707

データベース識別子

CAS: 2059-76-9
PubChem CID: 74938
DTXSID: DTXSID70174601
UNII: WDF6UL9NHM
EC Number: 627-278-1
Nikkaji: J1.605.667G

物性

構造計算による物性

XLogP: 4.2
極性表面積: 44.5 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: 70 · 70-76 °C(lit.)
沸点: 299.5 · 299.5±23.0 °C(Predicted)
比重(密度): 1.8 · 1.8000 (rough estimate)
屈折率: 1.673 · 1.6730 (estimate)
水溶解度: 23.5 mg/L · 23.5mg/L(25℃)
BRN: 2412143 · 2412143
InChI: InChI=1S/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: SNLGBRZZFRSXHA-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(N=C=S)C=C1
CAS データベース: 2059 · 2059-76-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (91.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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 CategoriesSkin Corr. 1B (10.9%)；Skin Irrit. 2 (89.1%)；Eye Irrit. 2 (89.1%)；STOT SE 3 (91.3%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29309090
risk_code: 36/37/38
hazard_code: Xi,T,C
hazard_note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-36
hazard_class: 6.1
packing_group: II

化学と産業

サプライヤー50 社

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]