Monomethyl terephthalate

HCID 15513CAS 1679-64-7
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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]

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
50 mg/mL, · 클로로포름/메탄올: 용해성50mg/mL, 투명, 무색(1:1)

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 1건

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
26-36-37/39

화학 및 산업

용도 및 제조

Uses · 3건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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