1-(クロロメチル)ナフタレン
1-Chloromethylnaphthalene
基本情報
- CAS
35255-58-4- 標準SMILES
ClCc1cccc2ccccc12- InChIKey
XMWGTKZEDLCVIG-UHFFFAOYSA-N- 分子式
- C11H9Cl
- 平均分子量
- 176.64 g/mol
- 単同位体質量
- 176.039278
概要
causes erythema multiforme-like eruption; structure in first source
名称と識別子
- 優先名称
- 1-Chloromethylnaphthalene
- IUPAC
- 1-(chloromethyl)naphthalene
- 現地名
- 1-(クロロメチル)ナフタレン
- 英語名
- 1-Chloromethyl naphthalene
- 分子式
- C11H9Cl
- 分子量
- 176.64
名称と別名
1-Chloromethylnaphthalene1-Cl-me-naphthaleneRefChem:4275091-CMN1-(CHLOROMETHYL)NAPHTHALENE86-52-21-Chloromethyl naphthaleneNaphthalene, 1-(chloromethyl)-1-Naphthylmethyl chloride(Chloromethyl)naphthalene1-Menaphthyl chloride35255-58-4
名称をさらに表示
1-(クロロメチル)ナフタレン1-クロロメチルナフタレン1-ナフチルメチルクロリド(1-ナフチル)クロロメタン1クロロメチルナフタレン1‐(クロロメチル)ナフタレン1-menaphthylchlorideJACS-86-52-2AKOS BBS-00004040-Menaphthylchloride1-Chloromethyl naphtNaftifine Impurity 5Naftifine Impurity 7
Naphthalene, 1-chloromethyl-1-(Chlormethyl)naftalenNSC 84731-(chloromethyl)-naphthalene.alpha.-(Chloromethyl)naphthaleneMFCD000040421-Chloromethyl-naphthaleneKD3RZ3R8C4
データベース識別子
- CAS
35255-58-4、86-52-2- PubChem CID
- 6845
- DTXSID
DTXSID5058939- UNII
- KD3RZ3R8C4
- EC Number
- 201-678-2、252-469-8
- Nikkaji
- J32.568F
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 144
実験および物理化学的性質
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials PropertiesBoiling point
Physical DescriptionPale yellow solid with a pungent odor; mp = 31-33 deg C; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 32 °C · 32 °C(lit.)
- 沸点
- 291 °C · 291 °C
- 比重(密度)
- 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.635(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- Chloroform, Ethyl Acetate (Slightly), Methanol (Sparingly)
- 外見
- 融解後の液体
- 比重
- 1.18 · 1.18
- 色
- 濃い茶色
- 水溶解度
- 水に不溶。
- BRN
- 636885 · 636885
- InChI
- 1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Naphthalene, 1-(chloromethyl)-
Naphthalene, 1-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 1-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-(chloromethyl)naphthalene (EC: 201-678-2)
1-(Chloromethyl) naphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes lachrymation, diarrhea, and increased body temperature in dermal lethal-dose studies of rats; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
安全データ
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
General Manufacturing InformationNaphthalene, 1-(chloromethyl)-: ACTIVE
応用分野
用途有機合成原料。
使用1-(Chloromethyl)naphthalene is a key material for synthesis dye pigment and as fluorescent brightening agent. It is employed in synthetic resin and medicine. Palladium-catalyzed nucleophilic dearomatization of chloromethyl naphthalene derivatives produce ortho- or para-substituted carbocycles in satisfactory to excellent yields.
一般的な説明Kinetics and dissociation mechanism of 1-(chloromethyl)naphthalene following 266nm photoexcitation has been studied. Intermolecular nucleophilic dearomatization of 1-chloromethyl naphthalene with various activated methylene compounds has been investigated.
上流・下流製品情報
上流原料
下流製品
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