2-노르보르네아세트산

Norborn-2-ylacetic acid

HCID 79139CAS 1007-01-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CC1CC2CCC1C2
InChIKey: FYHBMPWRHCWNBC-UHFFFAOYSA-N
분자식: C9H14O2
평균 분자량: 154.21 g/mol
단동위원소 질량: 154.09937969

이름 및 식별자

우선 이름: Norborn-2-ylacetic acid
IUPAC: 2-(2-bicyclo[2.2.1]heptanyl)acetic acid
현지명: 2-노르보르네아세트산
영어명: 2-NORBORNANEACETIC ACID
분자식: C9H14O2
분자량: 154.21

이름 및 동의어

Norborn-2-ylacetic acidEINECS 213-747-4NSC 174059RefChem:854699213-747-42-Norbornaneacetic acid1007-01-82-(Bicyclo[2.2.1]heptan-2-yl)acetic acidBicyclo[2.2.1]heptane-2-acetic acidBicyclo[2.2.1]hept-2-ylacetic acidNorbornane-2-acetic acid2-(2-bicyclo[2.2.1]heptanyl)acetic acid

이름 더 보기

2-노르보르네아세트산FR-2179NSC174059SBB008500AKOS B019691127264_ALDRICHTIMTEC-BB SBB008500

MFCD001675822-{bicyclo[2.2.1]heptan-2-yl}acetic acid2-norbornan-2-ylacetic acidBicyclo[2.2.1]hept-2-yl-acetic acid2-bicyclo[2.2.1]hept-2-ylacetic acidBICYCLO(2.2.1)HEPT-2-YLACETIC ACIDNORBORNYL-2-ACETIC ACIDNorbornaneacetate (NBA)

데이터베이스 식별자

CAS: 1007-01-8、6485-19-4
PubChem CID: 79139
DTXSID: DTXSID10905673
ChEMBL: CHEMBL457859
EC Number: 213-747-4
Nikkaji: J117A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 95 °C · 95 °C
끓는 점: 107 · 107-108 °C3 mm Hg(lit.)
밀도: 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4827(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)
InChI: 1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/t6-,7+,8/m1/s1
InChIKey: FYHBMPWRHCWNBC-KVARREAHSA-N
SMILES: OC(=O)CC1C[C@@H]2CC[C@H]1C2

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H303 (33.3%): May be harmful if swallowed [Warning Acute toxicity, oral]；H313 (33.3%): May be harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, 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 3 reports by companies from 2 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.