4-Thioureidobenzoic acid

HCID 736216CAS 7366-56-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
NC(=S)Nc1ccc(C(=O)O)cc1
InChIKey
FOYDMXZTPAEILY-UHFFFAOYSA-N
분자식
C8H8N2O2S
평균 분자량
196.23 g/mol
단동위원소 질량
196.03064868

이름 및 식별자

우선 이름
4-Thioureidobenzoic acid
IUPAC
4-(carbamothioylamino)benzoic acid
영어명
(4-CARBOXYPHENYL)THIOUREA
분자식
C8H8N2O2S
분자량
196.23

이름 및 동의어

4-Thioureidobenzoic acid7366-56-54-(2-Thioureido)benzoic acid4-carboxyphenylthiourea4-[(Aminothioxomethyl)amino]benzoic acidHHU9SXZ44Xn-(4-carboxyphenyl)thioureaEINECS 230-910-5NSC-49255Benzoic acid, 4-[(aminothioxomethyl)amino]-(P-CARBOXYPHENYL)THIOUREADTXSID40223872
이름 더 보기
RARECHEM AL BO 04444-Thioureidobenzoicaci4-Thioureidobenzoicacid(4-CARBOXYPHENYL)THIOUREA1-(4-CARBOXYPHENY)-2-THIOUREAPhenylthiourea-4-carboxylicacid
NSC 492554-((AMINOTHIOXOMETHYL)AMINO)BENZOIC ACIDBENZOIC ACID, 4-((AMINOTHIOXOMETHYL)AMINO)-RefChem:527019DTXCID70146363230-910-54-(carbamothioylamino)benzoic acid1-(4-carboxyphenyl)-2-thiourea

데이터베이스 식별자

CAS
7366-56-5
PubChem CID
736216
DTXSID
DTXSID40223872
UNII
HHU9SXZ44X
EC Number
230-910-5
Nikkaji
J212.363K

물성

구조 계산 물성

XLogP
1.3
극성 표면적
107 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
255 °C · 255 °C
끓는 점
394.3 · 394.3±44.0 °C(Predicted)
밀도
1.508 · 1.508±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C(protect from light)
산도 계수 (pKa)
4.04 · 4.04±0.10(Predicted)
BRN
2805627 · 2805627

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (88.6%)；Skin Irrit. 2 (11.4%)；Skin Sens. 1 (88.6%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

안전 데이터

ridadr
2811
HS 번호
29309090
risk_code
22-36/37/38
safety_code
26-36/37/39
포장분류
III
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사50 곳

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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