2-나프탈렌술포닐클로라이드

2-Naphthalenesulfonyl chloride

HCID 7125CAS 93-11-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc2ccccc2c1
InChIKey: OPECTNGATDYLSS-UHFFFAOYSA-N
분자식: C10H7ClO2S
평균 분자량: 226.68 g/mol
단동위원소 질량: 225.98552814

이름 및 식별자

우선 이름: 2-Naphthalenesulfonyl chloride
IUPAC: naphthalene-2-sulfonyl chloride
현지명: 2-나프탈렌술포닐클로라이드
영어명: 2-Naphthalenesulfonyl chloride
분자식: C10H7ClO2S
분자량: 226.68

이름 및 동의어

2-Naphthalenesulfonyl chlorideNaphthalene-2-sulfonyl chloride93-11-82-naphthalenesulphonyl chlorideNAPHTHALENE-2-SULPHONYL CHLORIDEW3N8WRJ279NSC-133893DTXSID5059080RefChem:88624DTXCID6048830202-219-92-Naphthylsulfonyl chloride

이름 더 보기

2-나프탈렌술포닐클로라이드ene-2-suLAKOS B022434ART-CHEM-BB B0224342-Naphthalenesulfonyb-Naphthalenesulfochloride2-Naphthesulfonyl chlorideb-Naphthylsulfonyl chloride

beta-Naphthalenesulfonyl chlorideMFCD00004087Naphthalene-2-sulfonic acid chloridebeta-Naphthalenesulfochloride.beta.-NaphthalenesulfochlorideNSC 133893naphthalene-2-sulfonylchloride2-Naphthalene sulfonyl chloride

데이터베이스 식별자

CAS: 93-11-8
PubChem CID: 7125
DTXSID: DTXSID5059080
UNII: W3N8WRJ279
EC Number: 202-219-9
Nikkaji: J94.937J

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 294

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 74 · 74-76 °C (lit.)
끓는 점: 147.7 °C/0.6 · 147.7 °C/0.6 mmHg (lit.)
밀도: 1.3661 · 1.3661 (estimate)
증기압: 0.004 Pa · 0.004Pa at 25℃
인화점: 200 · 200-202°C/13mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: 가루
색상: 밝은 노란색에서 베이지색까지
수용성: 불용성
BRN: 641898 · 641898
InChI: 1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey: OPECTNGATDYLSS-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1ccc2ccccc2c1
LogP: 2.2 at · 2.2 at 25℃
NIST: 2 · 2-Naphthalenesulfonyl chloride(93-11-8)
EPA: 2 · 2-Naphthalenesulfonyl chloride (93-11-8)

화학적 성질

LIGHT YELLOW TO BEIGE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (80.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 20-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20866

2-Naphthalenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (80.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29049020
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
F 고인화성물질: 21
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenesulfonyl chloride: ACTIVE

응용 분야 · 1건

용도2-Naphthalenesulfonyl chloride was employed as capping reagent for primary amine to convert histamine to a selective histamine H3-receptor antagonist. It was used for pre-column derivatization during the high-performance liquid chromatographic assay of neomycin sulfate.