1-クロロナフタレン

1-クロロナフタレン · 1-ナフチルクロリド · α-クロロナフタレン · α-ナフチルクロリド · １クロロナフタレン · l-クロロナフタレン · 1‐クロロナフタレン · 1‐クロロナフタレン標準品

識別子と物理属性

CAS No.	25586-43-0
分子式	C10H7Cl
平均分子量	162.61 g/mol
単同位体質量	162.0236279 g/mol
SMILES	Clc1cccc2ccccc12
InChIKey	JTPNRXUCIXHOKM-UHFFFAOYSA-N
PubChem CID	7003
ChEMBL	CHEMBL195338
EC No.	201-967-3
DTXSID	DTXSID2024791
現地名	1-クロロナフタレン

化学・物理的性質

XLogP	4.2
極性表面積	0
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	0
重原子数	11
形式電荷	0
複雑度	133
LogP（分配係数）	log Kow = 4.08log Kow= 4.0
味	/1-Chloronaphthalene/ gives water a sweetish, astringent taste, the perception threshold for which is higher than for odor. /Odor threshold (0.01 mg/L)/.
密度	1.1938 at 68 °F (NTP, 1992) - Denser than waterwill sink1.20 @ 25 °C1.19382 @ 20 °C/4 °CRelative density (water = 1): 1.21.188 @25 °C1.194 g/mL at 25 °C(lit.)
Viscosity	35 SAYBOLT UNIVERSAL SECONDS (SUS) @ 25 °C (APPROX)
Color/Form	LIQUIDOily liquid
溶解度	less than 1 mg/mL at 68 °F (NTP, 1992)POLYCHLORONAPHTHALENES HAVE GOOD SOLUBILITY IN CHLORINATED & AROMATIC SOLVENTS, & PETROLEUM NAPHTHASLIMITED IN KETONES, ETHERS, ACETATES, MINERAL OILSINSOL IN ALC, WATER. /POLYCHLORONAPHTHALENES/Sol in benzene, petroleum ether, alcoholIn water, 17.4 mg/l @ 25 °CSolubility in water, g/100ml at 25 °C: 0.02 (poor)アルコール：可溶不溶。 <0.1 g/100 mL で 20 ºC
引火点	250 °F (NTP, 1992)121 °C165 °C (OPEN CUP)250 °F (121 °C) (closed cup)121 °C c.c.
沸点	505 °F at 760 mmHg (NTP, 1992)328 °C (initial boiling point)259.3 °C @ 760 mm Hg260 °C259 °C @760 [mm Hg]111-113 °C5 mm Hg(lit.)
Decomposition	When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
融点	-9 to -4 °F (NTP, 1992)-25 °C APPROX-2.5 °C-2.3 °C−20 °C(lit.)
蒸気密度	5.6 (Air= 1)Relative vapor density (air = 1): 5.6
臭気閾値	0.01 mg/L
蒸気圧	0.05 hPa (20 °C)
屈折率	n20/D 1.632(lit.)
貯蔵条件	2-8°C
外観・状態	液体
色	無色透明～黄色、保存中に変色することがあります
pH	7 (H2O, 20℃)(undiluted)
比熱容量	Cp(liquid): 1.31 J/(g·K), at 25℃
Merck	14,2149
BRN	970836
ヘンリー定数	2.8×10-2 mol/(m3Pa) at 25℃, Shiu and Mackay (1997)
誘電率	5.0
安定性	安定。可燃性。強力な酸化剤とは相容れない。
InChI	1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey	JTPNRXUCIXHOKM-UHFFFAOYSA-N
SMILES	Clc1c2c(ccc1)cccc2
表面張力	41.8mN/m at 20°C
CAS データベース	90-13-1(CAS DataBase Reference)
NISTの化学物質情報	Naphthalene, 1-chloro-(90-13-1)
EPAの化学物質情報	1-Chloronaphthalene (90-13-1)

化学的特性

The chlorinated naphthalenes in which one or more hydrogen atoms have been replaced by chlorine to form wax-like substances, beginning with monochloronaphthalene and going on to the octachlor derivatives. Their physical states vary from mobile liquids to waxysolids depending on the degree of chlorination. 1-Chloronaphthalene is a colorless volatile oily liquid. Insoluble in water, soluble in carbon tetrachloride, carbon disulfide, benzene and chlorobenzene.

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (88.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (80.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 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.
規制情報	Chemical: Naphthalene, 1-chloro-SP - indicates a substance that is identified in a proposed Significant New Use Rule.Substance: 1-chloronaphthaleneEC: 201-967-3Date of inclusion in the POPs Regulation: 19-Jun-2012POPs Regulation Annex: Annex I, part AAnnex III, part BAnnex IVNaphthalene, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - Naphthalene, 1-chloro-: Environment tier I assessmentIMAP assessments - Naphthalene, 1-chloro-: Human health tier I assessment
輸送ラベル（DOT）	Class 9
火災危険	This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
火災の可能性	Thermal stability ranking of hazardous organic compounds: rank 21 on a scale of 1 (highest stability) to 320 (lowest stability).

用途

洗浄剤,溶剤 (NITE CHRIP)

使用

1-Chloronaphthalene was widely used in Xylamits as a wood preservative with fungicidal and insecticidal properties in the past in Poland. 2-Chloronaphthalene was produced and used as a solvent in Poland, some of PCNs were found in polychlorinated biphenyls (PCBs) congeners.

一般的な説明

1-chloronaphthalene is a clear colorless to amber oily viscous liquid. (NTP, 1992)

製法・合成法

純化方法

Wash the naphthalene with dilute NaHCO3, then dry it with Na2SO4 and fractionally distil it in vacuo. Alternatively, before distillation, it is passed through a column of activated alumina, or dried with CaCl2, then distilled from sodium. It can be further purified by fractional crystallisation by partial freezing or by crystallisation of its picrate to constant melting point (m 132-133o) from EtOH, and recovering it from the picrate. [Beilstein 5 H 541, 5 III 1570, 5 IV 1658.]