2,6-Pyridinedicarbonyl dichloride

HCID 77335CAS 3739-94-4

기본 정보

표준 SMILES: O=C(Cl)c1cccc(C(=O)Cl)n1
InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
분자식: C7H3Cl2NO2
평균 분자량: 204.01 g/mol
단동위원소 질량: 202.9540837

이름 및 식별자

우선 이름: 2,6-Pyridinedicarbonyl dichloride
IUPAC: pyridine-2,6-dicarbonyl chloride
영어명: 2,6-Pyridinedicarboxylic acid chloride
분자식: C7H3Cl2NO2
분자량: 204.01

이름 및 동의어

2,6-Pyridinedicarbonyl dichloridePyridine-2,6-dicarbonyl dichlorideDTXSID70958483EINECS 223-125-4RefChem:83386DTXCID701386387223-125-4GWHOGODUVLQCEB-UHFFFAOYSA-N3739-94-42,6-Pyridinedicarbonyl chloride2,6-Pyridinedicarboxylic acid chloridepyridine-2,6-dicarbonyl chloride

이름 더 보기

2,6-pyridinediformyl chloride2,6-Bis(chlorocarbonyl)pyridinePyridine-2,6-biscarbonyl chloridepyridine-2,6-dicarboyl dichloride(S)-(-)-1-(4-METHOXYPHENYL)ETHANOL2,6-Pyridinebis(carbonyl chloride)

2,6-PyridinedicarboxylicacidchloridePyridine-2,6-dicarboxylic acid chlorideMFCD00006289E781482,6-Pyridinedicarbony chloride2,6-Pyridin2,6-Pyridinedicarboxylic acid dichlorideA823625

데이터베이스 식별자

CAS: 3739-94-4
PubChem CID: 77335
DTXSID: DTXSID70958483
EC Number: 223-125-4
Nikkaji: J187B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 47 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 56 · 56-58 °C (lit.)
끓는 점: 284 °C · 284 °C (lit.)
밀도: 1.4521 · 1.4521 (rough estimate)
굴절률: 1.61 · 1.6100 (estimate)
인화점: 284 °C · 284°C
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -2.12 · -2.12±0.10(Predicted)
물리적 상태: 결정질 분말, 결정 또는 덩어리
색상: 흰색에서 갈색으로
수용성: 물에 불용성.
BRN: 131556 · 131556
InChI: InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
SMILES: C1(C(Cl)=O)=NC(C(Cl)=O)=CC=C1
NIST: 2 · 2,6-Pyridinedicarbony chloride(3739-94-4)

화학적 성질

white to brown crystalline powder, crystals or

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29333990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-24/25
포장분류: II
위험 등급: 8
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Skin Sens. 1A
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,6-Pyridinedicarboxylic acid chloride was used as the reagent during the synthesis of pyridine-based polyamido-polyester optically active macrocycles. It was used as starting reagent during the synthesis of pyridine-bridged 2,6-bis-carboxamide Schiff′s bases. It was used in the synthesis of N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide.