3-アミノ-2,4,6-トリヨード安息香酸

3-Amino-2,4,6-triiodobenzoic acid

HCID 18387CAS 3119-15-1

基本情報

標準SMILES
Nc1c(I)cc(I)c(C(=O)O)c1I
InChIKey
QMQFFHSJUJDRPG-UHFFFAOYSA-N
分子式
C7H4I3NO2
平均分子量
514.83 g/mol
単同位体質量
514.7376

名称と識別子

優先名称
3-Amino-2,4,6-triiodobenzoic acid
IUPAC
3-amino-2,4,6-triiodobenzoic acid
現地名
3-アミノ-2,4,6-トリヨード安息香酸
英語名
3-Amino-2,4,6-triiodobenzoic acid
分子式
C7H4I3NO2
分子量
514.83

名称と別名

3-Amino-2,4,6-triiodobenzoic acid3119-15-1BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-99H77D8MTDNSC-60105DTXSID60185120RefChem:496902DTXCID70107611221-493-03-Amino-2,4,6-triiodo-benzoic acidC7H4I3NO2MFCD00007681
名称をさらに表示
2,4,6-トリヨード-3-アミノ安息香酸3-アミノ-2,4,6-トリヨード安息香酸3-アミノ-2,4,6-トリヨード安息香酸 ヨウ化物3-amino-2,4,6-triiodo-benzoicaciacido3-amino-2,4,6-triiodobenzoico3-AMINO-2,4,6-TRIIODOBENZOIC ACID, 99+%3-Amino-2,4,6-triiodobenzoic Acid (50 mg)3-Amino-2,4,6-triiodobenzoic acid ISO 9001:2015 REACH3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water
3-Amino-2,4,6-triiodo-BenzoicacidEINECS 221-493-0NSC 60105BRN 2113495UNII-99H77D8MTDAcido 3-amino-2,4,6-triiodobenzoico [Italian]NSC601052,4,6-triiodo-3-aminobenzoic acid

データベース識別子

CAS
3119-15-1
PubChem CID
18387
DTXSID
DTXSID60185120
UNII
99H77D8MTD
EC Number
221-493-0
Nikkaji
J76.318G

物性

構造計算による物性

XLogP
2.7
極性表面積
63.3 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
1
重原子数
13

物理化学的性質

融点
196 · 196-199 °C
沸点
478.9 · 478.9±45.0 °C(Predicted)
比重(密度)
2.7479 · 2.7479 (estimate)
蒸気圧
0.001 Pa · 0.001Pa at 25℃
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka)
1.5 · 1.50±0.10(Predicted)

化学的性質

化学的特性Light yellow to tan powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (60.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (55.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (60.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (55.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (60.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 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

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24581
Hazard Classes and CategoriesAcute Tox. 4 (60.9%);Acute Tox. 4 (55.1%);Skin Irrit. 2 (60.9%);Eye Irrit. 2 (100%);Acute Tox. 4 (55.1%);STOT SE 3 (60.9%)

法規制情報

Regulatory InformationStatus: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24581

安全データ

wgk
WGK 3
rtecs
DG3349000
毒性
LD50 unr-rat: 1450 mg/kg JAPMA8 42,721,53
hs_code
2922493800
risk_code
36/37/38-22-20/21/22
hazard_code
Xn

化学と産業

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

関連反応

12 件

関連ノート

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