Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 75656생성일: 2026년 11월 5일

1-(Methylthio)-3-nitrobenzene

Methyl(3-nitrophenyl)sulfane · 3-Nitrothioanosole · 3-NITRO THIOANSOLE · 3-Nitro thioanisole · Methyl(3-nitrophenyl) · 3-Nitrothioanisole>3-NITRO THIOANISOLE 98%MIN · METHYL 3-NITROPHENYL SULFIDE · 1-(methylthio)-3-nitrobenzene

https://huagongshe.com/ko/chemical/75656

식별자 및 물리적 특성

CAS No.	2524-76-7
분자식	C7H7NO2S
평균 분자량	169.2 g/mol
단동위원소 질량	169.01974964 g/mol
SMILES	CSc1cccc([N+](=O)[O-])c1
InChIKey	GBGVXOUUXAIELM-UHFFFAOYSA-N
PubChem CID	75656
EC No.	219-761-7
DTXSID	DTXSID30179899

화학 및 물리적 성질

XLogP	2.5
극성 표면적	71.1
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	146
녹는점	14 °C
끓는 점	92 °C / 1mmHg
밀도	1.29
굴절률	1.6160 to 1.6200
저장 조건	2-8°C, stored under nitrogen
물리적 상태	투명한 액체
색상	Light yellow to Yellow to Orange

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Sens. 1 (97.5%)
관세 코드	2930909899
위험 표시	Xi
위험 등급	IRRITANT, STENCH

CAS No.

2524-76-7

분자식

C7H7NO2S

평균 분자량

169.2 g/mol

단동위원소 질량

169.01974964 g/mol

SMILES

CSc1cccc([N+](=O)[O-])c1

InChIKey

GBGVXOUUXAIELM-UHFFFAOYSA-N

PubChem CID

75656

EC No.

219-761-7

DTXSID

DTXSID30179899

화학 및 물리적 성질

XLogP

2.5

극성 표면적

71.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

146

녹는점

14 °C

끓는 점

92 °C / 1mmHg

밀도

1.29

굴절률

1.6160 to 1.6200

저장 조건

2-8°C, stored under nitrogen

물리적 상태

투명한 액체

색상

Light yellow to Yellow to Orange

안전 및 규제

GHS 분류

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Sens. 1 (97.5%)

관세 코드

2930909899

위험 표시

위험 등급

IRRITANT, STENCH