Benzene, 1-isothiocyanato-3-nitro- (HCID 19050)

이름 및 식별자

우선 이름: Benzene, 1-isothiocyanato-3-nitro-
IUPAC: 1-isothiocyanato-3-nitrobenzene
영어명: 3-Nitrophenyl isothiocyanate
분자식: C7H4N2O2S
분자량: 180.18

이름 및 동의어

3-Nitrophenyl isothiocyanate3529-82-6Benzene, 1-isothiocyanato-3-nitro-BRN 2094061DTXSID7063059Phenyl, 3-nitro, isothiocyanateRefChem:117321DTXCID40389763-12-00-01573 (Beilstein Handbook Reference)OEZXLKSZOAWNJU-UHFFFAOYSA-N1-Isothiocyanato-3-nitrobenzenem-Nitrophenyl isothiocyanate

이름 더 보기

3-NitrophenyL3-Nitrophenyl isothiocyate, 98%1-isothiocyanato-3-nitro-benzen3-Nitrophenyl isothiocyanate 98%3-Nitrophenyl isothiocyanate-97%isothiocyanicacid,m-nitrophenylester

3-NitrophenylisothiocyanateMFCD00041245ISOTHIOCYANIC ACID, m-NITROPHENYL ESTER1-isothiocyanato-3-nitro-benzenem-NitrophenylisothiocyanatSCHEMBL1312153SCHEMBL298255211-Isothiocyanato-3-nitrobenzene #

데이터베이스 식별자

CAS: 3529-82-6
PubChem CID: 19050
DTXSID: DTXSID7063059
EC Number: 628-314-9
Nikkaji: J41.503K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 90.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 220

실험 및 물리화학적 성질

Kovats Retention Index1507.6

물리화학적 성질

녹는점: 57 · 57-60 °C(lit.)
끓는 점: 277.5 °C · 277.5°C (rough estimate)
밀도: 1.436 · 1.4360 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: 2 · 2-8°C
수용성: 50.45 mg/L · 50.45mg/L(25℃)
BRN: 2094061 · 2094061
InChI: InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey: OEZXLKSZOAWNJU-UHFFFAOYSA-N
SMILES: C1(N=C=S)=CC=CC([N+]([O-])=O)=C1
EPA: 1 · Benzene, 1-isothiocyanato-3-nitro- (3529-82-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)；Acute Tox. 4 (10.9%)；Skin Corr. 1B (97.8%)；Acute Tox. 4 (10.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NX9110000
ridadr: UN 3261 8/PG 3
HS 번호: 29309090
risk_code: 34
hazard_code: C
safety_code: 23-26-36/37/39-45
포장분류: II
위험 등급: 6.1
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-isothiocyanato-3-nitro-: INACTIVE

응용 분야 · 2건

용도3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.It may be used in the synthesis of the following thiourea derivatives:N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thioureaN-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thioureaR/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea

일반 설명3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.

상·하류 제품 정보

상류 원료

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

연결된 노트

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Benzene, 1-isothiocyanato-3-nitro-

기본 정보