Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 85171생성일: 2026년 10월 27일

p-Fluorotoluene-alpha-thiol

(4-Fluorophenyl)methanethiol · 4-Fluorobenzenemethanethiol · 4-FLUOROBENZYLTHIOL · 4-FLUOROBENZYL MERCA · 4-Fluorobenzylthiol98% · 4-fluoro-à-toluenethiol · 4-Fluorobenzylthiol 98% · P-FLUOROBENZYL MERCAPTAN

https://huagongshe.com/ko/chemical/85171

식별자 및 물리적 특성

CAS No.	15894-04-9
분자식	C7H7FS
평균 분자량	142.2 g/mol
단동위원소 질량	142.02524956 g/mol
SMILES	Fc1ccc(CS)cc1
InChIKey	RKTRHMNWVZRZJQ-UHFFFAOYSA-N
PubChem CID	85171
ChEMBL	CHEMBL1224558
EC No.	240-031-9
DTXSID	DTXSID50166544

화학 및 물리적 성질

XLogP	2.3
극성 표면적	1
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	77
끓는 점	72-74 °C/15 mmHg (lit.)
밀도	1.157 g/mL at 25 °C (lit.)
굴절률	n20/D 1.545(lit.)
인화점	170 °F
물리적 상태	액체
pKa(산도 계수)	9.53±0.10(Predicted)
비중	1.157
색상	무색~담황색
BRN	2242520
InChI	1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey	RKTRHMNWVZRZJQ-UHFFFAOYSA-N
SMILES	Fc1ccc(CS)cc1

안전 및 규제

포장분류
GHS 분류	This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 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 7 reports by companies.There are 3 notifications provided by 6 of 7 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.
Hazard Classes and Categories	Acute Tox. 4 (85.7%)Acute Tox. 4 (71.4%)Skin Irrit. 2 (85.7%)Eye Irrit. 2 (85.7%)STOT SE 3 (71.4%)
수질 위해 등급(WGK)	3
운송 번호(UN)	1228
관세 코드	2930909899
위험 문구(R)	20/21/22
위험 표시	T
안전 문구(S)	23-27-36/39

용도

4-Fluorobenzyl mercaptan may be used in the synthesis of the degradation products of fluorapacin, namely bis(4-fluorobenzyl)disulfide and bis(4-fluorobenzyl)tetrasulfide.

일반 설명

4-Fluorobenzyl mercaptan undergoes reaction with p-chloranil to afford mainly 2,5-dichloro-3,6-S-disubstituted benzoquinone and 2,6-dichloro-3,5-S-disubstituted benzoquinone.

CAS No.

15894-04-9

분자식

C7H7FS

평균 분자량

142.2 g/mol

단동위원소 질량

142.02524956 g/mol

SMILES

Fc1ccc(CS)cc1

InChIKey

RKTRHMNWVZRZJQ-UHFFFAOYSA-N

PubChem CID

85171

ChEMBL

CHEMBL1224558

EC No.

240-031-9

DTXSID

DTXSID50166544

화학 및 물리적 성질

XLogP

2.3

극성 표면적

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

끓는 점

72-74 °C/15 mmHg (lit.)

밀도

1.157 g/mL at 25 °C (lit.)

굴절률

n20/D 1.545(lit.)

인화점

170 °F

물리적 상태

액체

pKa(산도 계수)

9.53±0.10(Predicted)

비중

1.157

색상

무색~담황색

BRN

2242520

InChI

1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

RKTRHMNWVZRZJQ-UHFFFAOYSA-N

SMILES

Fc1ccc(CS)cc1

안전 및 규제

GHS 분류

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 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 7 reports by companies.There are 3 notifications provided by 6 of 7 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.

Hazard Classes and Categories

Acute Tox. 4 (85.7%)Acute Tox. 4 (71.4%)Skin Irrit. 2 (85.7%)Eye Irrit. 2 (85.7%)STOT SE 3 (71.4%)

수질 위해 등급(WGK)

운송 번호(UN)

1228

관세 코드

2930909899

위험 문구(R)

20/21/22

위험 표시

안전 문구(S)

23-27-36/39

포장분류

용도

4-Fluorobenzyl mercaptan may be used in the synthesis of the degradation products of fluorapacin, namely bis(4-fluorobenzyl)disulfide and bis(4-fluorobenzyl)tetrasulfide.

일반 설명

4-Fluorobenzyl mercaptan undergoes reaction with p-chloranil to afford mainly 2,5-dichloro-3,6-S-disubstituted benzoquinone and 2,6-dichloro-3,5-S-disubstituted benzoquinone.