Methyl 4-cyanobenzoate (HCID 70791)

이름 및 식별자

우선 이름: Methyl 4-cyanobenzoate
IUPAC: methyl 4-cyanobenzoate
영어명: Methyl 4-cyanobenzoate
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

Methyl 4-cyanobenzoate1129-35-74-Cyanobenzoic acid methyl esterBenzoic acid, 4-cyano-, methyl esterMethyl p-cyanobenzoate4-(Methoxycarbonyl)benzonitrilep-Cyanobenzoic acid methyl esterF8FMS7O8XGBenzoic acid, p-cyano-, methyl esterEINECS 214-443-4DTXSID9022150RefChem:816382

이름 더 보기

RARECHEM AL BF 0074SPECS AC-907/25014377Methy-4-cyanobenzoateMethyl-4-CyanobenoateLABOTEST-BB LT00159784Methyle4-cyanobenzoateMesocyanobenzoaldehydeMethyl4-Cyanobenzoate>

DTXCID902150214-443-4MFCD00001823methyl-4-cyanobenzoate4-cyano-benzoic acid methyl esterSCHEMBL73934-CYAN-BENZOIC ACID-METHYL ESTERTS-02142

데이터베이스 식별자

CAS: 1129-35-7
PubChem CID: 70791
DTXSID: DTXSID9022150
UNII: F8FMS7O8XG
EC Number: 214-443-4
Nikkaji: J41.149C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 50.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 208

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 65 · 65-67 °C(lit.)
끓는 점: 142 · 142-144 °C12 mm Hg(lit.)
밀도: 1.248 · 1.2480 (rough estimate)
굴절률: 1.505 · 1.5050 (estimate)
인화점: 142 · 142-144°C/12mm
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 불용성. 클로로포름과 에틸 아세테이트에 용해됩니다.
BRN: 1866980 · 1866980
InChI: 1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey: KKZMIDYKRKGJHG-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)C#N
NIST: 4 · 4-Cyanobenzoic acid methyl ester(1129-35-7)
EPA: 4 · Methyl 4-cyanobenzoate (1129-35-7)

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzoic acid, 4-cyano-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
safety_code: 22-24/25-60-36/37-26-9
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요Methyl 4-cyanobenzoate, which is 4-cyanobenzoic acid or its methyl ester, is an intermediate used in various applications, such as pharmaceuticals, pesticides, precursors of liquid crystals, and/or functional polymer monomers.

용도Methyl 4-Cyanobenzoate (cas# 1129-35-7) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

트라넥삼산 3-(4-CYANO-PHENYL)-3-OXO-PROPIONICACIDETHYL에스테르 벤조산,4-시아노-,히드라지드(9CI)4'-시아노-2,2,2-트리플루오로아세토페논 (4-아미노메틸-페닐)-메탄올 트리스(4-시아노페닐)메탄올 Methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzenecarboxylate

공급사50 곳

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]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

불러오는 중…

Methyl 4-cyanobenzoate

기본 정보