1-Adamantanecarbonyl chloride (HCID 98915)

개요

structure in first source

이름 및 식별자

우선 이름: 1-Adamantanecarbonyl chloride
IUPAC: adamantane-1-carbonyl chloride
영어명: 1-Adamantanecarbonyl chloride
분자식: C11H15ClO
분자량: 198.69

이름 및 동의어

1-Adamantanecarbonyl chloride2094-72-6Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chlorideDTXSID20175108RefChem:899307DTXCID9097599218-252-7Adamantane-1-carbonyl chlorideAdamantanecarbonyl chloride1-Adamantoyl chlorideAdamantoyl chloride1-Adamantanecarboxylic acid chloride

이름 더 보기

SKL1298Saxaint-LAKOS BC-0659Adamantane-1-carbonyLAdamantyl chloroformategoldalkane-1-formylchloro

1-Adamantanoic acid chlorideMFCD00074724Adamantane-1-carboxylic acid chloride1-Adamantylcarbonyl chloride1-Adamantyl carbonyl chlorideTricyclo[3.3.1.13,7]decane-1-carbonyl chloride1-ADAMANTANE CARBONYL CHLORIDENSC249324

데이터베이스 식별자

CAS: 2094-72-6
PubChem CID: 98915
DTXSID: DTXSID20175108
EC Number: 218-252-7
Nikkaji: J150.553J

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 49 · 49-51 °C(lit.)
끓는 점: 135 · 135-136 °C10 mm Hg(lit.)
밀도: 1.049 · 1.0490 (rough estimate)
굴절률: 1.5364 · 1.5364 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: 결정질 고체
색상: 흰색에서 거의 흰색
수용성: 분해될 수 있음
BRN: 389960 · 389960
InChI: 1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2/t7-,8+,9-,11-
InChIKey: MIBQYWIOHFTKHD-KJZNFTALSA-N
SMILES: ClC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
NIST: 1 · 1-Adamantanecarboxlic acid chloride(2094-72-6)

화학적 성질

White to almost white crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25203

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29162090
risk_code: 14-34-37
hazard_code: C
safety_code: 26-36/37/39-45-24/25
포장분류: III
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도1-Adamantanecarbonyl chloride was used in the preparation of efficient amine-modified oligodeoxynucleotides for fabrication of DNA microarrays.

일반 설명1-Adamantanecarbonyl chloride on reaction with triethylammonium isopropylphosphite forms mixed anhydride, an efficient capping reagent for the hydrogen-phosphonate DNA synthesis. It is a good substrate for Friedel–Crafts acylation of anisole in the presence of indium metal.