나프탈렌술폰산

1-Naphthalenesulfonic acid

HCID 6812CAS 25155-19-5

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기본 정보

표준 SMILES: O=S(=O)(O)c1cccc2ccccc12
InChIKey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
분자식: C10H8O3S
평균 분자량: 208.24 g/mol
단동위원소 질량: 208.01941512

개요

Naphthalene-1-sulfonic acid is a naphthalenesulfonic acid.

이름 및 식별자

우선 이름: 1-Naphthalenesulfonic acid
IUPAC: naphthalene-1-sulfonic acid
현지명: 나프탈렌술폰산
영어명: naphthalenesulphonic acid
분자식: C10H8O3S
분자량: 208.23372

이름 및 동의어

1-NAPHTHALENESULFONIC ACID85-47-2naphthalene-1-sulfonic acidalpha-Naphthalenesulfonic acid0SJH61WM2JDTXSID70480331-naphthalenemonosulfonateHT-907CHEBI:30895RefChem:76474DTXCID209777201-610-1

이름 더 보기

나프탈렌술폰산Einecs 246-676-2naphthalenesulphonic acid

Naphthalene-1-sulphonic acidnaphthalenesulfonic acidUNII-0SJH61WM2J25155-19-5MFCD00003987.alpha.-Naphthalenesulfonic acidnaphthalene sulfonic acid1-Naphthalenesulfonic acid, >50%

데이터베이스 식별자

CAS: 25155-19-5、85-47-2
PubChem CID: 6812
DTXSID: DTXSID7048033
ChEMBL: CHEMBL1160029
ChEBI: CHEBI:30895
UNII: 0SJH61WM2J
EC Number: 201-610-1、246-676-2
Nikkaji: J124.113C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 291

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Naphthalenes

Industrial compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionSolid; [Merck Index] Grey powder; [Acros Organics MSDS]

Ionization Efficiency · 6건

Negative

1.6

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

Collision Cross Section141.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3042394]

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 57.8% (155 of 268) of all reports.

Danger

H302 (39.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 268 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports.

유해성 정보

Regulatory Information · 3건

Chemical: Naphthalenesulfonic acid

Naphthalenesulfonic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

1-Naphthalenesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Naphthalene.

Hazard Classes and Categories · 2건

Acute Tox. 4 (39.9%)

Skin Corr. 1B (95.6%)