Hexahydrophthalic anhydride, cis- (HCID 641660)

이름 및 식별자

우선 이름: Hexahydrophthalic anhydride, cis-
IUPAC: (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
현지명: 시스-헥사히드로프탈 무수물
영어명: CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
분자식: C8H10O3
분자량: 154.16

이름 및 동의어

13149-00-3cis-1,2-Cyclohexanedicarboxylic anhydridecis-Hexahydrophthalic anhydride1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-Hexahydrophthalic anhydride, cis-cis-Cyclohexane-1,2-dicarboxylic anhydrideB52Z7TNV871,3-Isobenzofurandione, hexahydro-, cis-EINECS 236-086-3AI3-059841,2-Cyclohexanedicarboxylic anhydride, cis-cyclohexanedicarboxylic anhydride

이름 더 보기

시스-헥사히드로프탈무수물시스-헥사히드로프탈무수물CIS-1,2-사이클로헥산디카복실산무수물HHPACIS-HHPAPerospirone Impurity 6Paracetamol Impurity 36Hexahydro-2-benzofuran-1,3-dioneHEXAHYDROPHTHALIC ACID ANHYDRIDEHHPA,Hexahydrophthalic anhydride

DTXSID001026621NSC-8622cis-1,2-cyclohexanecarboxylic acid anhydrideRefChem:786173DTXCID4015107671,3Isobenzofurandione, hexahydro, cis236-086-3cis-Hexahydroisobenzofuran-1,3-dione

데이터베이스 식별자

CAS: 13149-00-3
PubChem CID: 641660
DTXSID: DTXSID001026621
UNII: B52Z7TNV87
EC Number: 236-086-3
Nikkaji: J147.581I

물성

구조 계산 물성

XLogP: 1.2
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: 187

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic

SpringerMaterials PropertiesChemical shift

Physical DescriptionWhite to pale yellow crystalline solid; mp = 31-36 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 32 · 32-34 °C(lit.)
끓는 점: 158 °C17 · 158 °C17 mm Hg(lit.)
밀도: 1.23 · 1.23
굴절률: 1.475 · 1.4750 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정질 저융점 고체
색상: 흰색에서 거의 흰색
BRN: 83214 · 83214
안정성: 수분에 민감한

화학적 성질

white to almost white cryst. low melting solid

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, 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, 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 · 4건

Chemical: 1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-

Hazard Traits - Respiratory Toxicity

Substance: cis-cyclohexane-1,2-dicarboxylic anhydride

1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-: 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.

Other Safety InformationIMAP assessments - Hexahydrophthalic anhydride: Human health tier II assessment

Hazards SummaryA severe eye irritant that may cause serious injury; May cause skin and respiratory sensitization; [Alfa Aesar MSDS] See ACID ANHYDRIDES.

Hazard Classes and Categories · 4건

Skin Sens. 1 (100%)

Eye damage - category 1

Serious eye damage/eye irritation - Category 1

Eye Dam. 1

안전 및 보호

Threshold Limit Values (TLV)0.005 [mg/m3] ,inhalable fraction and vapor

독성 정보

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

안전 데이터

wgk: 1
HS 번호: 29420000
risk_code: 41-42/43
hazard_code: Xn
safety_code: 23-24-26-37/39
기존화학 물질: KE-09169
F 고인화성물질: 10-21
중점관리물질 필터링: 별표2-259

화학 및 산업

응용 분야

용도(3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione is a reagent used in the synthesis of Pregabalin (P704800), a GABA analogue used as an anticonvulsant. Also used to prepare P2X7 receptor antagonists.