5-노보르넨-2,2-디메타놀

4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene

HCID 110917CAS 6707-12-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC1(CO)CC2C=CC1C2
InChIKey: DSHXMENPUICESR-UHFFFAOYSA-N
분자식: C9H14O2
평균 분자량: 154.21 g/mol
단동위원소 질량: 154.09937969

이름 및 식별자

우선 이름: 4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
IUPAC: [2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
현지명: 5-노보르넨-2,2-디메타놀
영어명: 5-Norbornene-2,2-dimethanol
분자식: C9H14O2
분자량: 154.21

이름 및 동의어

Bicyclo[2.2.1]hept-5-ene-2,2-dimethanolBicyclo(2.2.1)hept-5-ene-2,2-dimethanol4,4-Di(hydroxymethyl)bicyclo(2.2.1)hepteneDTXSID308843304,4-Di(hydroxymethyl)bicyclo[2.2.1]hepteneRefChem:507206DTXCID801021368624-593-65-Norbornene-2,2-dimethanol6707-12-6Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanolMFCD00167595

이름 더 보기

5-노보르넨-2,2-디메타놀Norborna-5-ene-2,2-dimethanol5-Norbornene-2,2-dimethanol>5-NORBORNENE-2,2-DIMETHANOL 95+%Bicyclo[2.2.1]hepta-5-ene-2,2-bismethanol(6-methylol-6-bicyclo[2.2.1]hept-2-enyl)methanol5-(Hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol

[2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methanol[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol2,2-Bis(hydroxymethyl)-5-norborneneN06365-Norbornene-2.2-dimethanolSCHEMBL4661902,2-bishydroxymethyl-5-norbornene2,2-di-hydroxymethyl-norborn-5-ene

데이터베이스 식별자

CAS: 6707-12-6
PubChem CID: 110917
DTXSID: DTXSID30884330
EC Number: 624-593-6
Nikkaji: J421.829I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 111 · 111-113 °C (lit.)
끓는 점: 252.9 · 252.9±15.0 °C(Predicted)
밀도: 1.15 · 1.150±0.06 g/cm3(Predicted)
용해도: very faint turbidity in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 14.62 · 14.62±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: 1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2/t7-,8+/m0/s1
InChIKey: DSHXMENPUICESR-JGVFFNPUSA-N
SMILES: OCC1(CO)C[C@@H]2C[C@H]1C=C2
EPA: 2.2 · Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol (6707-12-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+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.；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.