기본 정보
- CAS
59-85-8- 표준 SMILES
O=C(O)c1cc[c]([Hg][Cl])cc1- InChIKey
YFZOUMNUDGGHIW-UHFFFAOYSA-M- 분자식
- C7H4ClHgO2.H
- 평균 분자량
- 357.16 g/mol
- 단동위원소 질량
- 357.968451
개요
P-chloromercuribenzoic acid is a chlorine molecular entity and a mercuribenzoic acid. It is functionally related to a benzoic acid.
이름 및 식별자
- 우선 이름
- p-(Chloromercuri)benzoic acid
- IUPAC
- (4-carboxyphenyl)-chloromercury
- 영어명
- 4-Chloromercuribenzoic acid
- 분자식
- C7H5ClHgO2
- 분자량
- 357.16
이름 및 동의어
p-Chloromercuribenzoic acid59-85-8(4-Carboxyphenyl)chloromercury4-Carboxyphenylmercuric chlorideP-(CHLOROMERCURI)BENZOIC ACIDMercurate(1-), (4-carboxylatophenyl)chloro-, hydrogenCHEBI:28420NSC-32866p Chloromercuribenzoic Acid4 Chloromercuribenzoic AcidAcid, p-ChloromercuribenzoicAcid, 4-Chloromercuribenzoic
이름 더 보기
DYRP-CMBP-CMBADHFRP1usafd-3NSC 32866DHFR from mousep-Chlormercuribenzoic Acid
RefChem:858027200-442-6(4-Carboxylatophenyl)chloromercurate(1-), hydrogenChloromercuribenzoateChloromercuribenzoic acidE1LE0WZ4BO4-chloromercuribenzoic acidPCMB
데이터베이스 식별자
- CAS
59-85-8- PubChem CID
- 1730
- DTXSID
DTXSID8040725- ChEBI
CHEBI:28420
물성
구조 계산 물성
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metals, Organic Compounds
Vapor Pressure0.0000148 [mmHg]
Physical DescriptionInsoluble in water (303 mg/L at 25 deg C); [ChemIDplus] White solid; Slightly soluble in water; [Alfa Aesar MSDS]
Collision Cross Section143.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8040725]
물리화학적 성질
- 녹는점
- 287 °C · 287 °C (dec.)(lit.)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- Aqueous Base (Slightly, Heated),
- 물리적 상태
- 고체
- 색상
- White
- 생물학적 소스
- mouse
- BRN
- 3662892 · 3662892
- InChI
- 1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
- InChIKey
- YFZOUMNUDGGHIW-UHFFFAOYSA-M
- SMILES
- OC(=O)c1ccc([Hg]Cl)cc1
- EPA
- Mercurate(1-), (4-carboxylatophenyl)chloro-, hydrogen (59-85-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Mercurate(1-), (4-carboxylatophenyl)chloro-, hydrogen
4-Chloromercuribenzoic acid: HSNO Approval: HSR006174 Approved with controls
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryIntraperitoneal LD50 (mouse) = 25 mg/kg; [RTECS] Likely to be highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Mercury, aryl compounds and linked occupational diseases.
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 및 보호
Threshold Limit Values (TLV)0.1 [mg/m3], as Hg
Permissible Exposure Limit (PEL)0.1 [mg/m3], as Hg
Immediately Dangerous to Life or Health (IDLH)10.0 [mg/m3], as Hg
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.
용도 및 제조
UsesAn organic mercurial used as a sulfhydryl reagent. [ChemIDplus]
General Manufacturing InformationMercurate(1-), (4-carboxylatophenyl)chloro-, hydrogen: INACTIVE
응용 분야
용도4-CHLOROMERCURIBENZOIC ACID can be used to inhibit some enzymes that require unmodified cysteine residues (e.g., adenylyl cyclase).
공급사16 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…