1-Naphthaleneacetamide (HCID 6861)

名称と識別子

優先名称: 1-Naphthaleneacetamide
IUPAC: 2-naphthalen-1-ylacetamide
現地名: 2-(1-ナフチル)アセトアミド
英語名: 1-Naphthaleneacetamide
分子式: C12H11NO
分子量: 185.22

名称と別名

1-NAPHTHALENEACETAMIDE86-86-21-Naphthylacetamide2-(1-Naphthyl)acetamideNaphthaleneacetamide2-(naphthalen-1-yl)acetamideFrufixAmid-ThinNAAmalpha-NaphthylacetamideDirigol NAmid-Thin W

名称をさらに表示

2-(1-ナフチル)アセトアミド(1-ナフチル)アセトアミド1-ナフタレンアセトアミド1-ナフチルアセトアミドナフタレン-1-アセトアミドルートン1-ナフチルアセトアミド標準品１ナフチルアセトアミドN-1-ナフチルアセドアミド2-(1-ﾅﾌﾁﾙ)ｱｾﾀﾐﾄﾞ1‐ナフチルアセトアミド標準品1-ナフチルアセトアミド 1-ナフタレンアセタミドCS_N-10074-1G_1-ナフタレンアセタミド1-ナフチルアセトアミドΑ-ナフタレンアセトアミドα-ナフチルアセトアミドトランスプラントンアミドシン2-(ナフタレン-1-イル)アセトアミドRootonedirigolnRosetoneNAI-DPACNAA Amide

alpha-NAA amidealpha-Naphthaleneacetamide1-Naphthylamine, N-acetyl-alpha-Naphthaleneacetic acid amideDTXSID302091411KAX3RJ28NSC-34862DTXCID30914

データベース識別子

CAS: 86-86-2
PubChem CID: 6861
DTXSID: DTXSID3020914
ChEMBL: CHEMBL3186653
ChEBI: CHEBI:81810
UNII: 11KAX3RJ28
EC Number: 201-704-2
Nikkaji: J798F

物性

構造計算による物性

XLogP: 2.1
極性表面積: 43.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 214

実験および物理化学的性質

Solubility0.039 mg/mL at 40 °C

Melting Point184 °C

Physical DescriptionSolid

物理化学的性質

融点: 180 · 180-183 °C (lit.)
沸点: 319.45 °C · 319.45°C (rough estimate)
比重(密度): 1.0936 · 1.0936 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 16.1 · 16.10±0.40(Predicted)
色: ホワイトからオフホワイト
BRN: 1945547 · 1945547
Henry's Law Constant: 9.8 · 9.8×107 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
InChIKey: XFNJVKMNNVCYEK-UHFFFAOYSA-N
SMILES: NC(=O)Cc1cccc2ccccc12
CAS データベース: 86 · 86-86-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Naphthaleneacetamide(86-86-2)
EPAの化学物質情報: 1 · 1-Naphthaleneacetamide (86-86-2)

化学的性質

化学的特性white to cream powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (27.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361d (64.8%): Suspected of damaging the unborn child [Warning Reproductive toxicity]；H412 (67.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 162 reports by companies from 10 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 Information · 3 件

Commission Regulation (EC) No 33/2008

2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011

1-Naphthalenacetamide: 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 (99.4%)；Eye Dam. 1 (27.8%)；Repr. 2 (64.8%)；Aquatic Chronic 3 (67.3%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

5.1 [mg/m3]

56 [mg/m3]

330 [mg/m3]

毒性情報

RAIS Toxicity Values · 2 件

0.25

OPP

法規制情報

Regulatory Information · 3 件

Commission Regulation (EC) No 33/2008

2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011

1-Naphthalenacetamide: 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

wgk: 3
tsca: TSCA listed
rtecs: QJ0590000
hs_code: 29242990
risk_code: 22-41-34-11
hazard_code: Xn,C,F
safety_code: 26-39-24/25-45-36/37/39-16
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Repr. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)

General Manufacturing Information1-Naphthaleneacetamide: ACTIVE

応用分野

使用1-Naphthylacetamide (cas# 86-86-2) is a compound useful in organic synthesis.

上流・下流製品情報

上流原料

1-ナフチルアセトニトリル塩化2-(1-ナフチル)エタノイル 1-Naphthoylformic acid 1'-アセトナフトン 1-ナフタレン酢酸 1-ナフトール 2-クロロアセトアミドテトラヒドロフランアンモニア水

サプライヤー50 社

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

2-(1-ナフチル)アセトアミド

基本情報