4-tert-Butylphthalic anhydride

HCID 122930CAS 32703-79-0

기본 정보

표준 SMILES: CC(C)(C)c1ccc2c(c1)C(=O)OC2=O
InChIKey: YLJYVKLZVHWUCT-UHFFFAOYSA-N
분자식: C12H12O3
평균 분자량: 204.22 g/mol
단동위원소 질량: 204.07864424

이름 및 식별자

우선 이름: 4-tert-Butylphthalic anhydride
IUPAC: 5-tert-butyl-2-benzofuran-1,3-dione
영어명: 4-tert-Butylphthalic anhydride
분자식: C12H12O3
분자량: 204.22

이름 및 동의어

4-tert-Butylphthalic anhydride32703-79-0BPF7CY3CW7DTXSID30186381RefChem:1071614DTXCID40108872251-165-25-(tert-Butyl)isobenzofuran-1,3-dione5-tert-butyl-2-benzofuran-1,3-dioneMFCD000601275-tert-butyl-1,3-dihydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-(1,1-dimethylethyl)-

이름 더 보기

4-tert-Butylphthalic Anhydride >4-tert-Butylphthalic anhydride 98%5-tert-Butylisobenzofuran-1,3-dione5-(1,1demethylethyl)-1,3-isobenzofurandione

40496-93-3EINECS 251-165-24-t-butylphthalic anhydride4-t-butyl phthalic anhydride4-t-butyl-phthalic anhydrideSCHEMBL15459704-tert-Butylphthalic anhydride, 95%AKOS015916355

데이터베이스 식별자

CAS: 32703-79-0
PubChem CID: 122930
DTXSID: DTXSID30186381
UNII: BPF7CY3CW7
EC Number: 251-165-2
Nikkaji: J208.148B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 300

물리화학적 성질

녹는점: 70 · 70-75 °C(lit.)
끓는 점: 136 °C · 136 °C / 2mmHg
밀도: 1.206 · 1.206±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3
InChIKey: YLJYVKLZVHWUCT-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc2C(=O)OC(=O)c2c1

화학적 성질

Off-white solid

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2917.39.7000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-tert-Butylphthalic Anhydride is a standard for environmental testing and research. Reagent for the structure-based design of phthalimides as potential cyclooxygenase-2 inhibitors with anti-inflammatory and analgesic activities. Dyes and metabolites.