2,4,6-Trichlorophenoxyacetic acid (HCID 11331)

名称と識別子

優先名称: 2,4,6-Trichlorophenoxyacetic acid
IUPAC: 2-(2,4,6-trichlorophenoxy)acetic acid
現地名: 2,4,6-トリクロロフェノキシ酢酸
英語名: 2,4,6-TRICHLOROPHENOXYACETIC ACID
分子式: C8H5Cl3O3
分子量: 255.48

名称と別名

2,4,6-TRICHLOROPHENOXYACETIC ACID(2,4,6-Trichlorophenoxy)acetic acidAcetic acid, (2,4,6-trichlorophenoxy)-EINECS 209-394-0NSC 61993BRN 1117315A84A99QB9OAI3-09412NSC-61993Acetic acid, 2-(2,4,6-trichlorophenoxy)-DTXSID702061134-06-00-01011 (Beilstein Handbook Reference)

名称をさらに表示

2,4,6-トリクロロフェノキシ酢酸2-(2,4,6-トリクロロフェノキシ)酢酸(2,4,6-トリクロロフェノキシ)酢酸2,4,6-T STANDARD2,4,6-T IN ACETONITRILE2,4,6-T標準品2,4,6-T Standard, 100 µg/mL in MeOH2,4,6-T, 100 µg/mL in AcCNAURORA 219672,4,6-T STANDARDAKOS BBS-00007917Bifeprunox Impurity 58Prochloraz metabolite 32,4,6-T in Acetonitrile(2,4,6-trichlorophenoxy)-aceticaci2,4,6-TRICHLOROPHENOXYACETIC ACID 98+%

RefChem:442889DTXCID70128604209-394-0575-89-32-(2,4,6-trichlorophenoxy)acetic acidMFCD00053498UNII-A84A99QB9ONSC61993

データベース識別子

CAS: 575-89-3
PubChem CID: 11331
DTXSID: DTXSID70206113
ChEMBL: CHEMBL173077
UNII: A84A99QB9O
EC Number: 209-394-0
Nikkaji: J188.445J

物性

構造計算による物性

XLogP: 3.6
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 185 °C · 185°C
沸点: 361.82 °C · 361.82°C (rough estimate)
比重(密度): 1.6048 · 1.6048 (rough estimate)
屈折率: 1.47 · 1.4700 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 2.87 · 2.87±0.10(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 247.8 mg/L · 247.8mg/L(25℃)
安定性: 塩基、強力な酸化剤と相容れない。
InChI: InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey: KZDCLQBOHGBWOI-UHFFFAOYSA-N
SMILES: C(O)(=O)COC1=C(Cl)C=C(Cl)C=C1Cl
CAS データベース: 575 · 575-89-3

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 InformationAcetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (95%)；Eye Irrit. 2 (97.5%)

法規制情報

Regulatory InformationAcetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

rtecs: AJ8405000
ridadr: UN 2811 6.1/PG III
hs_code: 2918.99.4700
risk_code: 20/21/22-36/37/38-40
safety_code: 22-36/37/39
hazard_class: 6.1
packing_group: III

化学と産業

応用分野

使用(2,4,6-Trichlorophenoxy)acetic Acid is suitable for plant cell culture testing. Post-emergence herbicide.

上流・下流製品情報

上流原料

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]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

2,4,6-トリクロロフェノキシ酢酸

基本情報