기본 정보
- CAS
554-95-0- 표준 SMILES
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1- InChIKey
QMKYBPDZANOJGF-UHFFFAOYSA-N- 분자식
- C9H6O6
- 평균 분자량
- 210.14 g/mol
- 단동위원소 질량
- 210.01643791
개요
Benzene-1,3,5-tricarboxylic acid is a tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5. It is a member of benzoic acids and a tricarboxylic acid. It is a conjugate acid of a benzene-1,3,5-tricarboxylate(1-).
이름 및 식별자
- 우선 이름
- 1,3,5-Benzenetricarboxylic acid
- IUPAC
- benzene-1,3,5-tricarboxylic acid
- 현지명
- 트리메시산
- 영어명
- Trimesic acid
- 분자식
- C9H6O6
- 분자량
- 210.14
이름 및 동의어
Trimesic acid554-95-0benzene-1,3,5-tricarboxylic acid1,3,5-BENZENETRICARBOXYLIC ACIDTrimesinic acidTrimesitinic acid5-Carboxyisophthalic acid1,3,5-TricarboxybenzeneDTXSID8021488OU36OO5MTNNSC-3998DTXCID501488
이름 더 보기
트라이메스산트리메산산트리메스산트리메시산트리메스산H3BTCbenzene-1,3,5-tricarboxylate1,3,5-Trimesic AcidTrimeric acid
benzene-1,3,5-carboxylic acidCHEBI:46032RefChem:72274209-077-71,3,5-Benzene tricarboxylic acidMFCD00002517TrimesicAcid; BTCH3BTCt
데이터베이스 식별자
- CAS
554-95-0- PubChem CID
- 11138
- DTXSID
DTXSID8021488- ChEMBL
CHEMBL77562- ChEBI
CHEBI:46032- UNII
- OU36OO5MTN
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.00000003 [mmHg]
Physical Description
Dry Powder
White to cream crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 끓는 점
- 309.65 °C · 309.65°C (rough estimate)
- 밀도
- 1.4844 · 1.4844 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
- 328 °C · 328°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 26.3 g/L · 26.3g/L
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 1 · pK1: 2.12;pK2: 4.10;pK3: 5.18 (25°C)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 68.8% (108 of 157) of all reports.
Warning
H315 (31.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Benzenetricarboxylic acid
1,3,5-Benzenetricarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Benzenetricarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Benzene-1,3,5-tricarboxylic acid (EC: 209-077-7)
1,3,5-Benzenetricarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (31.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: 16000 mg/kg
- HS 번호
- 29173980
- risk_code
- 36/37/38
- hazard_code
- Xi
화학 및 산업
용도 및 제조
U.S. Production2023: 44,092 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3,5-Benzenetricarboxylic acid: ACTIVE
응용 분야
용도Trimesic acid is mainly used in the industry of poxy curing agent ,Adhesives and coating material ,Engineering plastic ,Synthetic fiber ,Cross-linking agent for alkyd resin ,Plasticizer ,Pharmaceutical intermediates, Desalination membrane etc.
일반 설명Trimesic acid (TMA), also known as 1,3,5-benzenetricarboxylic acid, has a self-organized 2D molecular network structure formed by intermolecular hydrogen bonds between the carboxylic acid residues in bulk crystals. TMA can be used in the synthesis of metal-organic frameworks (MOFs), which can be used as organic linkers potentially utilized in sensors.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
1건
화합물 노트
불러오는 중…