3-AMINO-4-클로로벤조닐

3-Amino-4-chlorobenzonitrile

HCID 104464

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53312-79-1
표준 SMILES: N#Cc1ccc(Cl)c(N)c1
InChIKey: KRBRYJLBILJHAS-UHFFFAOYSA-N
분자식: C7H5ClN2
평균 분자량: 152.58 g/mol
단동위원소 질량: 152.0141259

이름 및 식별자

우선 이름: 3-Amino-4-chlorobenzonitrile
IUPAC: 3-amino-4-chlorobenzonitrile
현지명: 3-AMINO-4-클로로벤조닐
영어명: 3-Amino-4-chlorobenzonitrile
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

3-Amino-4-chlorobenzonitrile53312-79-1EINECS 258-471-5DTXSID50201464RefChem:497254DTXCID50123955258-471-53-Amino-4-chloro-benzonitrileMFCD000170892-Chloro-5-cyanoanilineEN300-98037Benzonitrile, 3-amino-4-chloro-

이름 더 보기

3-AMINO-4-클로로벤조닐Lodoxamide Impurity 262-CHLORO-5-CYANO-ANILINE3-Amino-4-chlorobenzonitrile >3-Amino-4-chlorobenzonitrile 96%3-AMINO-4-CHLOROBENZONITRILE ISO 9001：2015 REACH

4-chloro-3-aminobenzonitrile3-amino-4-chloro benzonitrileCHEMBL430682SCHEMBL1026066SCHEMBL30873036BDBM6262343-Amino-4-chlorobenzonitrile, 96%AKOS000111681

데이터베이스 식별자

CAS: 53312-79-1
PubChem CID: 104464
DTXSID: DTXSID50201464
ChEMBL: CHEMBL430682
EC Number: 258-471-5
Nikkaji: J62.886G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 87 · 87-91 °C
끓는 점: 292 · 292.0±20.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 0.85 · 0.85±0.10(Predicted)
색상: Light yellow to Yellow to Orange
InChI: 1S/C7H5ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
InChIKey: KRBRYJLBILJHAS-UHFFFAOYSA-N
SMILES: Nc1cc(ccc1Cl)C#N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (93.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 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 (93.2%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (93.2%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 2926907090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids