2-ヒドロキシジチオ安息香酸

ジチオサリチル酸 · 2-ヒドロキシジチオ安息香酸 · 2-ヒドロキシベンゼン-1-カルボジチオ酸 · NSC 70157 · 2-Hydroxydithiobenzoic acid · Benzenecarbodithioic acid, 2-hydroxy-

https://huagongshe.com/ja/chemical/68243

識別子と物理属性

CAS No.	527-89-9
分子式	C7H6OS2
平均分子量	170.3 g/mol
単同位体質量	169.98600716 g/mol
SMILES	Oc1ccccc1C(=S)S
InChIKey	AJQLEJAVGARHGQ-UHFFFAOYSA-N
PubChem CID	68243
ChEBI	CHEBI:37999
EC No.	208-428-1
DTXSID	DTXSID60870584
現地名	2-ヒドロキシジチオ安息香酸

化学・物理的性質

XLogP	2.2
極性表面積	53.3
水素結合供与体数	2
水素結合受容体数	3
回転可能結合数	1
重原子数	10
形式電荷	0
複雑度	136
融点	48-50°
沸点	269.91°C (rough estimate)
密度	1.3611 (rough estimate)
屈折率	1.5970 (estimate)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).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: Benzenecarbodithioic acid, 2-hydroxy-
Hazard Classes and Categories	Skin Irrit. 2 (50%)Skin Sens. 1 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%)

CAS No.

527-89-9

分子式

C7H6OS2

平均分子量

170.3 g/mol

単同位体質量

169.98600716 g/mol

SMILES

Oc1ccccc1C(=S)S

InChIKey

AJQLEJAVGARHGQ-UHFFFAOYSA-N

PubChem CID

68243

ChEBI

CHEBI:37999

EC No.

208-428-1

DTXSID

DTXSID60870584

現地名

2-ヒドロキシジチオ安息香酸

XLogP

2.2

極性表面積

53.3

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

136

融点

48-50°

沸点

269.91°C (rough estimate)

密度

1.3611 (rough estimate)

屈折率

1.5970 (estimate)

安全性と法規制

GHS 分類

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).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: Benzenecarbodithioic acid, 2-hydroxy-

Hazard Classes and Categories

Skin Irrit. 2 (50%)Skin Sens. 1 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%)