Monomethyl terephthalate
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기본 정보
- CAS
1679-64-7- 표준 SMILES
COC(=O)c1ccc(C(=O)O)cc1- InChIKey
REIDAMBAPLIATC-UHFFFAOYSA-N- 분자식
- C9H8O4
- 평균 분자량
- 180.16 g/mol
- 단동위원소 질량
- 180.04225874
이름 및 식별자
- 우선 이름
- Monomethyl terephthalate
- IUPAC
- 4-methoxycarbonylbenzoic acid
- 영어명
- mono-Methyl terephthalate
- 분자식
- C9H8O4
- 분자량
- 180.16
이름 및 동의어
1679-64-7Monomethyl terephthalateMethyl terephthalateMethyl hydrogen terephthalateAcetic acid, (4-carboxyphenyl)-Terephthalic acid, monomethyl ester1,4-Benzenedicarboxylic acid, monomethyl esterDTXSID1027425HYDROGEN METHYL TEREPHTHALATENSC-210838G2T5130M28DTXCID107425
이름 더 보기
MMTMonomethyLMonomethyl esterTerephthaLTetraphthalic acidRARECHEM AL BE 0109Mono-methyl terephth
1,4-Benzenedicarboxylic acid, 1-methyl esterRefChem:819336216-849-74-(Methoxycarbonyl)benzoic acidMono-methyl terephthalate4-Methoxycarbonylbenzoic acidTerephthalic acid monomethyl esterMFCD00002557
데이터베이스 식별자
- CAS
1679-64-7- PubChem CID
- 15513
- DTXSID
DTXSID1027425- ChEMBL
CHEMBL3560150- UNII
- G2T5130M28
- EC Number
- 216-849-7
- Nikkaji
- J570C
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 204
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Color/FormCRYSTALS FROM DIL ALCOHOL
SolubilitySLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE
Melting Point239 °C
Vapor Pressure0.000184 [mmHg]
Physical DescriptionSolid; [HSDB] Faintly beige powder; [MSDSonline]
물리화학적 성질
- 녹는점
- 220 · 220-223 °C (lit.)
- 끓는 점
- 232.96 °C · 232.96°C (rough estimate)
- 밀도
- 1.1987 · 1.1987 (rough estimate)
- 굴절률
- 1.4209 · 1.4209 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information1,4-Benzenedicarboxylic acid, monomethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline] See Dimethyl terephthalate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29173980
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
화학 및 산업
용도 및 제조
Uses
Used to make thermoplastic polyester elastomers; [HSDB]
Methyl terephthalate is produced as an intermediate in the synthesis of dimethyl terephthalate. /Methyl terephthalate/
DuPont produces a thermoplastic polyester elastomer called Hytrel, which is derived from polytetrahydrofuran, 1,4-butanediol, and methyl terephthalate.
General Manufacturing Information1,4-Benzenedicarboxylic acid, 1-methyl ester: ACTIVE
응용 분야
용도mono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.
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