3,4,5,6-Tetrahydrophthalic anhydride (HCID 12475)

개요

RN given refers to cpd with locants as specified

이름 및 식별자

우선 이름: 3,4,5,6-Tetrahydrophthalic anhydride
IUPAC: 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
영어명: 3,4,5,6-Tetrahydrophthalic anhydride
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

3,4,5,6-Tetrahydrophthalic anhydride2426-02-01,3-Isobenzofurandione, 4,5,6,7-tetrahydro-3,4,5,6-Tetrahydrophthalic acid anhydride01D3M89A2WNSC-11211NSC-61333DTXSID9075298RefChem:485678DTXCID8037043219-374-34,5,6,7-tetrahydroisobenzofuran-1,3-dione

이름 더 보기

TMMA1-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE3,4,5,6-TETRAHYDROPHTHALIC ANHYDRIDE, 95 %3,4,5,6-THPATIMTEC-BB SBB0076963,4,5,6-Tetrahydroph3,4,5,6-TetrahydrophthaLTetrahydrophthalic acid anhydride4,5,6-Tetrahydrophthalic anhydride1-CYCLOHEXENEDICARBOXYLIC ANHYDRIDE

4,5,6,7-Tetrahydro-2-benzofuran-1,3-dioneCyclohexene-1,2-dicarboxylic anhydrideMFCD000059171,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione4,5,6,7-Tetrahydro-isobenzofuran-1,3-dione1, 4,5,6,7-tetrahydro-UNII-01D3M89A2Wdelta-TPA

데이터베이스 식별자

CAS: 2426-02-0
PubChem CID: 12475
DTXSID: DTXSID9075298
UNII: 01D3M89A2W
EC Number: 219-374-3
Nikkaji: J76.414K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 237

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 69 · 69-73 °C(lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.2 · 1.2000
굴절률: 1.4447 · 1.4447 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해, 초음파 처리함), DMSO(소량으로 용해)
물리적 상태: 결정성 분말
색상: 흰색에서 크림색으로
수용성: 물과 반응
BRN: 136335 · 136335
안정성: 수분에 민감한
InChI: 1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChIKey: HMMBJOWWRLZEMI-UHFFFAOYSA-N
SMILES: O=C1OC(=O)C2=C1CCCC2
NIST: 1 · 1-Cyclohexene-1,2-dicarboxylic anhydride(2426-02-0)
EPA: 1 · 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro- (2426-02-0)

화학적 성질

White to cream crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 3건

Hazard Traits - Respiratory Toxicity

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Tetrahydrophthalic anhydride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 3건

Skin Sens. 1 (100%)

Eye damage - category 1

Eye Dam. 1

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2698
HS 번호: 29173990
risk_code: 36/37/38-52/53-42/43-41
hazard_code: Xi,Xn
safety_code: 26-36-61-37/39-24-22
포장분류: III
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-: ACTIVE

응용 분야

용도3,4,5,6-Tetrahydrophthalic Anhydride is useful in the synthesis and biological evaluation of 6-hydroxypyridazinone benzisoxazoles as an atypical antipsychotics.