1,2,4,5-Cyclohexanetetracarboxylic Acid

HCID 2834946CAS 15383-49-0

기본 정보

표준 SMILES: O=C(O)C1CC(C(=O)O)C(C(=O)O)CC1C(=O)O
InChIKey: ZPAKUZKMGJJMAA-UHFFFAOYSA-N
분자식: C10H12O8
평균 분자량: 260.2 g/mol
단동위원소 질량: 260.05321734

이름 및 식별자

우선 이름: 1,2,4,5-Cyclohexanetetracarboxylic Acid
IUPAC: cyclohexane-1,2,4,5-tetracarboxylic acid
영어명: CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI&
분자식: C10H12O8
분자량: 260.2

이름 및 동의어

15383-49-01,2,4,5-Cyclohexanetetracarboxylic AcidDTXSID60385426RefChem:214801DTXCID70336449625-764-8cyclohexane-1,2,4,5-tetracarboxylic acidMFCD00435556C10H12O8SCHEMBL65025CHEBI:1910871,2,4,5-cyclohexanetetracarboxylic

이름 더 보기

1,2,4,5-cyclohexanetracarboxylic acid1,2,4,5-CyclohexanetetracarboxylicAciCyclohexane-2,4,5-tetracarboxylic AcidCYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI&1,2,4,5-Cyclohexanetetracarboxylic Acid >cyclohexane-1,2,4,5-tetracarboxylic acid, mixture of cis and transCyclohexane-1,2,4,5-tetracarboxylic acid, mixture of cis and trans

DS-7284cyclohexane-1,2,4,5-tetracarboxylicacidCS-0155472EU-0071256CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACICBDivE_010490FT-0753730Cambridge id 5224166

데이터베이스 식별자

CAS: 15383-49-0
PubChem CID: 2834946
DTXSID: DTXSID60385426
ChEBI: CHEBI:191087
EC Number: 625-764-8
Nikkaji: J1.834.699K

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 149 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 327

물리화학적 성질

녹는점: 220 °C · >220 °C(lit.)
끓는 점: 549.1 · 549.1±50.0 °C(Predicted)
밀도: 1.673 · 1.673
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.98 · 2.98±0.44(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey: ZPAKUZKMGJJMAA-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CC(C(O)=O)C(C(O)=O)CC1C(O)=O

화학적 성질

White crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.