1-氯代萘

1-氯代萘用途

【用途一】
用于制1-萘酚，用于生产染料、木材防腐剂、杀菌剂、特种清洁剂等
【用途二】
用作油脂溶剂
【用途三】
用于有机合成，制备1-萘酚，也可作为溶剂、分析试剂。
【用途四】
显微镜测定结晶折光率用的浸液。油脂的溶剂。气相色谱固定液(最高使用温度75℃，溶剂为氯仿、甲醇)，分离和分析低级烃和卤代烃，选择性保留芳香族化合物，能分离二甲苯异构物。

1-氯代萘名称

[ CAS 号 ]:
90-13-1

[ 中文名 ]:
α-氯代萘

[ 英文名 ]:
1-Chloronaphthalene

[中文别名 ]:

[英文别名 ]:

α-Chlornaphthalene
A-CHLORONAPHTALENE
monochloronaphthalene
Naphthalene, 1-chloro-
1-Chlornaphthalin
1-CHLORONAPHTHLENE
α-Chloronaphthalene
1CHLORONAPTHALENE
1-CHLORONAPHTHALENE FOR SYNTHESIS
1-Chloronaphthalen

1-氯代萘物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
260.3±9.0 °C at 760 mmHg

[ 熔点 ]:
−20 °C(lit.)

[ 分子式 ]:
C₁₀H₇Cl

[ 分子量 ]:
162.616

[ 闪点 ]:
121.1±0.0 °C

[ 精确质量 ]:
162.023621

[ LogP ]:
4.04

[ 外观性状 ]:
无色油性液体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.643

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、食品添加剂分开存放

[ 稳定性 ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ 水溶解性 ]:
insoluble.

1-氯代萘MSDS

1-氯代萘毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QJ2100000

CHEMICAL NAME :: Naphthalene, 1-chloro-

CAS REGISTRY NUMBER :: 90-13-1

LAST UPDATED :: 199712

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C10-H7-Cl

MOLECULAR WEIGHT :: 162.62

WISWESSER LINE NOTATION :: L66J BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1091 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 200 ug/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 19(Suppl 21),2,1992 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FINLAND:TWA 0.2 mg/m3;STEL 0.6 mg/m3;Skin JAN 1993 OEL-SWEDEN:TWA 0.2 mg/m3;STEL 0.6 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1147 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 228 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1147 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 63 (estimated)

1-氯代萘安全信息

[ 符号 ]:

GHS07, GHS09

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302-H315-H319-H335-H400

[ 警示性声明 ]:
P261-P273-P305 + P351 + P338

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ 风险声明 (欧洲) ]:
R22;R36/37/38;R51/53

[ 安全声明 (欧洲) ]:
S26-S36-S61-S37/39-S29-S36/37-S45

[ 危险品运输编码 ]:
3082

[ WGK德国 ]:
2

[ RTECS号 ]:
QJ2100000

[ 包装等级 ]:
III

[ 危险类别 ]:
9.0

1-氯代萘合成路线

1-氯代萘上下游产品

1-氯代萘上游产品

1-氯代萘下游产品

1-氯代萘制备

由萘直接氯化而得：氯化反应以锌作催化剂，萘氯比为1：0.84-1.17，催化剂用量为萘重的0.4-0.5%，通氯时间3-6h，反应温度90-95℃，1-氯萘平均产率81.7%，经二次分馏，产品纯度96%。也可用碘作催化剂，在溶剂氯苯中反应，反应温度60-70℃，通氯6h即反应结束。直接氯化法同时生成2-氯萘，约占2-20%，两种异构体沸点相近（2-氯萘沸点264~266℃），化学性质较相似，很难分离。少量生产也可由甲萘胺经重氮化、置换而得。

1-氯代萘文献

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

J. Med. Chem. 48 , 440-9, (2005)

The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o...

Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

Eur. J. Med. Chem. 44 , 1941-51, (2009)

A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an...

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