2-메틸-4-니트로페닐이소시아네이트

2-Methyl-4-nitrophenyl isocyanate

HCID 4296456

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56309-59-2
표준 SMILES: Cc1cc([N+](=O)[O-])ccc1N=C=O
InChIKey: FZCFUPBIPMLIPI-UHFFFAOYSA-N
분자식: C8H6N2O3
평균 분자량: 178.14 g/mol
단동위원소 질량: 178.03784206

이름 및 식별자

우선 이름: 2-Methyl-4-nitrophenyl isocyanate
IUPAC: 1-isocyanato-2-methyl-4-nitrobenzene
현지명: 2-메틸-4-니트로페닐이소시아네이트
영어명: 2-Methyl-4-nitrophenyl isocyanate
분자식: C8H6N2O3
분자량: 178.14

이름 및 동의어

2-Methyl-4-nitrophenyl isocyanate56309-59-2DTXSID40401678RefChem:263420DTXCID20352533620-898-31-isocyanato-2-methyl-4-nitrobenzene1-Isocyanato-2-methyl-4-nitro-benzene2-Methyl-4-nitrophenylisocyanateMFCD000147044-isocyanato-3-methyl-1-nitro-benzeneSCHEMBL546059

이름 더 보기

2-메틸-4-니트로페닐이소시아네이트2-Methyl-4-nitrophenyl isocyanate-98%Benzene, 1-isocyanato-2-methyl-4-nitro-

2-methyl-4-nitrobenzenisocyanate2-methyl4-nitrophenyl isocyanateFZCFUPBIPMLIPI-UHFFFAOYSA-NGEO-04290AKOS005207061AKOS0158890932-Methyl-4-nitrophenyl isocyanate, 98%ST50826701

데이터베이스 식별자

CAS: 56309-59-2
PubChem CID: 4296456
DTXSID: DTXSID40401678
EC Number: 620-898-3
Nikkaji: J267.365G

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 75.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 81 · 81-84 °C(lit.)
끓는 점: 168 °C23 · 168 °C23 mm Hg(lit.)
밀도: 1.4114 · 1.4114 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
인화점: 168 °C/23mm · 168°C/23mm
BRN: 2723857 · 2723857

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (11.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (11.6%)；STOT SE 3 (100%)