Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 520953생성일: 2026년 10월 27일

3-Chloro-4-nitrobenzoic acid

3-Chloro-4-NitrobenzoicAci · 3-CHLORO-4-NITROBENZOIC ACID · Benzoic acid, 3-chloro-4-nitro-

https://huagongshe.com/ko/chemical/520953

식별자 및 물리적 특성

CAS No.	39608-47-4
분자식	C7H4ClNO4
평균 분자량	201.56 g/mol
단동위원소 질량	200.9828853 g/mol
SMILES	O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIKey	TZPGGFYKIOBMCN-UHFFFAOYSA-N
PubChem CID	520953
EC No.	630-043-6
DTXSID	DTXSID30334502

화학 및 물리적 성질

XLogP	2
극성 표면적	83.1
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	227
녹는점	178-180°C
끓는 점	382.7±27.0 °C(Predicted)
밀도	1.602±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	고체
pKa(산도 계수)	3.05±0.10(Predicted)
색상	옅은 노랑
NIST	Benzoic acid, 3-chloro-4-nitro-(39608-47-4)

화학적 성질

Light yellow crystalline powder

안전 및 규제

GHS 분류	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 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 (50%)Skin Irrit. 2 (75%)Eye Irrit. 2 (75%)STOT SE 3 (75%)
관세 코드	2916399090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36

CAS No.

39608-47-4

분자식

C7H4ClNO4

평균 분자량

201.56 g/mol

단동위원소 질량

200.9828853 g/mol

SMILES

O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1

InChIKey

TZPGGFYKIOBMCN-UHFFFAOYSA-N

PubChem CID

520953

EC No.

630-043-6

DTXSID

DTXSID30334502

화학 및 물리적 성질

XLogP

극성 표면적

83.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

227

녹는점

178-180°C

끓는 점

382.7±27.0 °C(Predicted)

밀도

1.602±0.06 g/cm3(Predicted)

저장 조건

Sealed in dry,Room Temperature

물리적 상태

고체

pKa(산도 계수)

3.05±0.10(Predicted)

색상

옅은 노랑

NIST

Benzoic acid, 3-chloro-4-nitro-(39608-47-4)

화학적 성질

Light yellow crystalline powder

안전 및 규제

GHS 분류

WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 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 (50%)Skin Irrit. 2 (75%)Eye Irrit. 2 (75%)STOT SE 3 (75%)

관세 코드

2916399090

위험 문구(R)

36/37/38

위험 표시

안전 문구(S)

26-36